SCHEMBL1294022

SCHEMBL1294022

CN1CCCc2cc3c(c(Cl)c21)CCN(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GPR119 Q8TDV5 6/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
STS P08842 2/20 0.36
RET P07949 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 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
SCHEMBL18648577 0.88 ESR2 (0.45) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL12105578 0.87 ESR2 (0.44) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL1294555 0.87 ESR2 (0.44) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL1294974 0.86 ESR2 (0.43) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL12105516 0.86 ESR2 (0.42) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL12105512 0.86 ESR2 (0.43) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL12110374 0.84 ESR2 (0.40) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL12105508 0.84 ESR2 (0.42) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL12105518 0.84 ESR2 (0.42) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL18648628 0.84 ESR2 (0.40) ESR2NR1H2MEN1KMT2ANPC1

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-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
US-9598434-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2017-03-21 US 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-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-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
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-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 1241/4885MEN1 3249/4885
US-20110269744-A1 Benzazepine Compound HTR2C, HTR3C, HTR2A ESR2 185/4885NR1H2 881/4885MEN1 3371/4885
US-20130059837-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR2 182/4885NR1H2 1241/4885MEN1 3249/4885
US-20150315208-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR2 182/4885NR1H2 1241/4885MEN1 3249/4885

“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.