SCHEMBL916386

SCHEMBL916386

CC(=O)c1ccc2c(c1)C1C=CCC1C(c1cc3c(cc1Br)OCO3)N2C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.65
GPER1 Q99527 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
GPR183 P32249 1/20 0.65
MAPT P10636 6/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
POLB P06746 4/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 4/20 0.44
APOBEC3A P31941 2/20 0.44
APOBEC3G Q9HC16 2/20 0.44
MASP2 O00187 2/20 0.44

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
SCHEMBL18130926 1.00 L3MBTL1 (0.65) L3MBTL1GPER1NPC1RAB9AGPR183
SCHEMBL12700960 0.90 L3MBTL1 (0.64) L3MBTL1GPER1NPC1RAB9AGPR183
SCHEMBL14611898 0.86 MAPT (0.51) L3MBTL1GPER1NPC1RAB9AGPR183
SCHEMBL14611897 0.85 MAPT (0.47) L3MBTL1GPER1NPC1RAB9AGPR183
SCHEMBL21105517 0.84 L3MBTL1 (0.57) L3MBTL1GPER1NPC1RAB9AGPR183
SCHEMBL20506686 0.84 L3MBTL1 (0.57) L3MBTL1GPER1NPC1RAB9AGPR183
SCHEMBL14611899 0.80 MAPT (0.43) L3MBTL1GPER1NPC1RAB9AGPR183
SCHEMBL12700921 0.78 GPER1 (1.00) L3MBTL1GPER1NPC1RAB9AGPR183
SCHEMBL12700983 0.78 GPER1 (1.00) L3MBTL1GPER1NPC1RAB9AGPR183
SCHEMBL12700947 0.78 GPER1 (1.00) L3MBTL1GPER1NPC1RAB9AGPR183

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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

For each of this compound's patents that has machine-readable text (3 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-20180055826-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY GPER1, NOX4, GPR119 L3MBTL1 4808/4885GPER1 1/4885NPC1 2118/4885
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 L3MBTL1 4018/4885GPER1 1/4885NPC1 910/4885
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 L3MBTL1 3985/4885GPER1 1/4885NPC1 1097/4885

“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.