SCHEMBL916446

SCHEMBL916446

NCCc1ccc2c(c1)C1C=CCC1C(c1cc3c(cc1Br)OCO3)N2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
GPER1 Q99527 3/20 0.68
LMNA P02545 2/20 0.68
POLB P06746 2/20 0.68
HTT P42858 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
GPR183 P32249 1/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
TAAR1 Q96RJ0 1/20 0.43
CHRNA7 P36544 2/20 0.43
AR P10275 1/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL5331270 0.91 GPER1 (0.63) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL12700925 0.90 MAPT (0.71) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL12701119 0.84 MAPT (0.81) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL12700906 0.83 MAPT (0.78) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL12722301 0.83 MAPT (1.00) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL24203417 0.81 MAPT (1.00) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL916391 0.81 MAPT (1.00) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL18132328 0.81 MAPT (1.00) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL24203423 0.81 MAPT (0.74) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL12700923 0.80 GPER1 (0.84) MAPTMEN1KMT2ACYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210186936-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY UNM RAINFOREST INNOVATIONS 2021-06-24 US disclosed
US-10980785-B2 Method for treating obesity, diabetes, cardiovascular and kidney diseases by regulating GPR30/GPER activity UNM RAINFOREST INNOVATIONS (US) 2021-04-20 US disclosed
US-20200113875-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY UNM RAINFOREST INNOVATIONS 2020-04-16 US disclosed
US-20180055826-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY UNM RAINFOREST INNOVATIONS 2018-03-01 US disclosed
WO-2016144647-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY STC.UNM (US) 2016-09-15 WO disclosed
US-8487100-B2 Compounds for binding to ER alpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof STC.UNM (US) 2013-07-16 US disclosed
US-8487100-B2 Compounds for binding to ER alpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof STC.UNM (US) 2013-07-16 US disclosed
US-8487100-B2 Compounds for binding to ER alpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof STC.UNM (US) 2013-07-16 US disclosed
US-20110092533-A1 COMPOUNDS FOR BINDING TO ER ALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF STC. UNM (US) 2011-04-21 US disclosed
US-20110092533-A1 COMPOUNDS FOR BINDING TO ER ALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF STC. UNM (US) 2011-04-21 US disclosed
US-20110092533-A1 COMPOUNDS FOR BINDING TO ER ALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF STC. UNM (US) 2011-04-21 US disclosed
US-7875721-B2 Modulators of estrogen receptor alpha/beta G protein-coupled receptor 30, e.g., 1-(4-(6-Bromo-benzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)1-ethanone; treating diseases such as cancer, neurodegenerative disorders, obesity, osteoporosis, and symptoms of menopause STC.UNM (US) 2011-01-25 US disclosed
US-7875721-B2 Modulators of estrogen receptor alpha/beta G protein-coupled receptor 30, e.g., 1-(4-(6-Bromo-benzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)1-ethanone; treating diseases such as cancer, neurodegenerative disorders, obesity, osteoporosis, and symptoms of menopause STC.UNM (US) 2011-01-25 US disclosed
US-7875721-B2 Modulators of estrogen receptor alpha/beta G protein-coupled receptor 30, e.g., 1-(4-(6-Bromo-benzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)1-ethanone; treating diseases such as cancer, neurodegenerative disorders, obesity, osteoporosis, and symptoms of menopause STC.UNM (US) 2011-01-25 US disclosed
US-20080167334-A1 Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof ARROWHEAD CENTER, INC. 2008-07-10 US disclosed
US-20080167334-A1 Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof ARROWHEAD CENTER, INC. 2008-07-10 US disclosed
US-20080167334-A1 Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof ARROWHEAD CENTER, INC. 2008-07-10 US disclosed
WO-2007019180-A2 COMPOUNDS FOR BINDING TO ERALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2007-02-15 WO disclosed
WO-2007019180-A2 COMPOUNDS FOR BINDING TO ERALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2007-02-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210186936-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY GPER1, NOX4, GPR119 MAPT 4718/4885MEN1 4800/4885KMT2A 3431/4885
US-20180055826-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY GPER1, NOX4, GPR119 MAPT 4718/4885MEN1 4800/4885KMT2A 3431/4885
US-10980785-B2 Method for treating obesity, diabetes, cardiovascular and kidney diseases by regulating GPR30/GPER activity GPER1, NOX4, GPR119 MAPT 4718/4885MEN1 4800/4885KMT2A 3431/4885
US-20110092533-A1 COMPOUNDS FOR BINDING TO ER ALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF GPER1, ESR2, ESRRG MAPT 1322/4885MEN1 1229/4885KMT2A 4342/4885
US-20080167334-A1 Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof GPER1, ESR2, ESRRG MAPT 1807/4885MEN1 1068/4885KMT2A 4138/4885
US-20200113875-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY GPER1, NOX4, GPR119 MAPT 4718/4885MEN1 4800/4885KMT2A 3431/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.