SCHEMBL1294501

SCHEMBL1294501

CC(C)(C)OC(=O)N1CCc2cc3c(c(Cl)c2CC1)NC(=O)CC3

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
NR1H2 P55055 1/20 0.41
CRBN Q96SW2 11/20 0.41
DDB1 Q16531 10/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
HTT P42858 1/20 0.35
ATM Q13315 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
SCHEMBL1293437 0.88 ESR2 (0.43) ESR2NR1H2CRBNDDB1KDM4E
SCHEMBL1294599 0.85 MAPT (0.40) MAPTMAPK1POLBMEN1KMT2A
SCHEMBL1294850 0.84 ESR2 (0.45) ESR2NR1H2KDM4EMAPTTHRB
SCHEMBL12333325 0.82 CRBN (0.43) ESR2NR1H2CRBNDDB1KDM4E
SCHEMBL1294136 0.79 ESR2 (0.50) ESR2NR1H2CRBNDDB1KDM4E
SCHEMBL12110206 0.78 ESR2 (0.42) ESR2NR1H2CRBNDDB1KDM4E
SCHEMBL1294778 0.76 ESR2 (0.42) ESR2NR1H2KDM4EMAPTTHRB
SCHEMBL1294022 0.74 ESR2 (0.46) ESR2NR1H2KDM4EMAPTTHRB
SCHEMBL1294896 0.74 ESR2 (0.43) ESR2NR1H2KDM4EMAPTTHRB
SCHEMBL1294281 0.74 ESR2 (0.43) ESR2NR1H2KDM4EMAPTTHRB

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 182/4885NR1H2 1241/4885CRBN 3951/4885
US-20110269744-A1 Benzazepine Compound HTR2C, HTR3C, HTR2A ESR2 185/4885NR1H2 881/4885CRBN 3894/4885
US-20130059837-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR2 182/4885NR1H2 1241/4885CRBN 3951/4885
US-20150315208-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR2 182/4885NR1H2 1241/4885CRBN 3951/4885

“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.