SCHEMBL1294850

SCHEMBL1294850

CC(C)(C)OC(=O)N1CCc2cc3c(c(Cl)c2CC1)NCCC3

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
MAPK1 P28482 1/20 0.41
NR1H2 P55055 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
PARP1 P09874 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
STS P08842 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL1294896 0.88 ESR2 (0.43) ESR2MAPK1NR1H2MEN1KMT2A
SCHEMBL1294778 0.87 ESR2 (0.42) ESR2MAPK1NR1H2MEN1KMT2A
SCHEMBL18648615 0.87 ESR2 (0.42) ESR2MAPK1NR1H2MEN1KMT2A
SCHEMBL18648623 0.87 ESR2 (0.42) ESR2MAPK1NR1H2MEN1KMT2A
SCHEMBL1293853 0.85 ESR2 (0.41) ESR2MAPK1NR1H2MEN1KMT2A
SCHEMBL1295042 0.85 ESR2 (0.41) ESR2MAPK1NR1H2MEN1KMT2A
SCHEMBL1294501 0.84 ESR2 (0.45) ESR2MAPK1NR1H2MEN1KMT2A
SCHEMBL12110147 0.84 ESR2 (0.40) ESR2MAPK1NR1H2MEN1KMT2A
SCHEMBL1294596 0.84 ESR2 (0.40) ESR2MAPK1NR1H2MEN1KMT2A
SCHEMBL12110430 0.83 ESR2 (0.41) ESR2MAPK1NR1H2MEN1KMT2A

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-9598434-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2017-03-21 US disclosed
US-9598434-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2017-03-21 US disclosed
EP-2546255-B1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-08-31 EP disclosed
US-20150315208-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-11-05 US disclosed
US-20150315208-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-11-05 US disclosed
US-9108977-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2015-08-18 US disclosed
US-9108977-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2015-08-18 US disclosed
US-20130059837-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-03-07 US disclosed
US-20130059837-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-03-07 US disclosed
EP-2546255-A1 BENZAZEPINE COMPOUND Astellas Pharma Inc. (JP) 2013-01-16 EP disclosed
US-20130012496-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-01-10 US disclosed
US-20130012496-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-01-10 US disclosed
US-20110269744-A1 Benzazepine Compound ASTELLAS PHARMA INC. (JP) 2011-11-03 US disclosed
US-20110269744-A1 Benzazepine Compound ASTELLAS PHARMA INC. (JP) 2011-11-03 US disclosed
US-20110269744-A1 Benzazepine Compound ASTELLAS PHARMA INC. (JP) 2011-11-03 US 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 (4 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-20130012496-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR2 182/4885MAPK1 3811/4885NR1H2 1241/4885
US-20110269744-A1 Benzazepine Compound HTR2C, HTR3C, HTR2A ESR2 185/4885MAPK1 3966/4885NR1H2 881/4885
US-20130059837-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR2 182/4885MAPK1 3811/4885NR1H2 1241/4885
US-20150315208-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR2 182/4885MAPK1 3811/4885NR1H2 1241/4885

“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.