SCHEMBL3491679

SCHEMBL3491679

CCOC(=O)c1cnn(Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
CYP19A1 P11511 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 2/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL4825828 0.92 ALDH1A1 (0.56) ALDH1A1CYP19A1SMN1; SMN2KMT2ANPC1
SCHEMBL21332805 0.85 SMN1; SMN2 (0.77) ALDH1A1CYP19A1SMN1; SMN2KMT2ANPC1
SCHEMBL15920987 0.84 SMN1; SMN2 (0.61) ALDH1A1CYP19A1SMN1; SMN2KMT2ANPC1
SCHEMBL13495282 0.84 SMN1; SMN2 (0.61) ALDH1A1CYP19A1SMN1; SMN2KMT2ANPC1
SCHEMBL21333190 0.83 SMN1; SMN2 (0.60) ALDH1A1CYP19A1SMN1; SMN2KMT2ANPC1
SCHEMBL15921183 0.83 SMN1; SMN2 (0.60) ALDH1A1CYP19A1SMN1; SMN2KMT2ANPC1
SCHEMBL6676998 0.83 SMN1; SMN2 (0.60) ALDH1A1CYP19A1SMN1; SMN2KMT2ANPC1
SCHEMBL3265402 0.83 SMN1; SMN2 (0.60) ALDH1A1CYP19A1SMN1; SMN2KMT2ANPC1
SCHEMBL4832108 0.83 NPC1 (0.81) ALDH1A1SMN1; SMN2KMT2ANPC1LMNA
SCHEMBL3493878 0.82 ALDH1A1 (0.54) ALDH1A1CYP19A1KMT2APOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 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 (2 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 ALDH1A1 1062/4885CYP19A1 705/4885SMN1; SMN2 4730/4885
US-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 ALDH1A1 435/4885CYP19A1 956/4885SMN1; SMN2 4473/4885

“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.