SCHEMBL12106989

SCHEMBL12106989

CN1CCC(C)(C)c2cc3c(cc21)CCN(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
NR1H2 P55055 2/20 0.49
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
MAP3K5 Q99683 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL12106996 0.85 ESR2 (0.48) ESR2NR1H2NPC1RAB9AMAPT
SCHEMBL12333799 0.84 ESR2 (0.47) ESR2NR1H2NPC1RAB9AMAPT
SCHEMBL12106764 0.81 ESR2 (0.48) ESR2NR1H2NPC1RAB9AMAPT
SCHEMBL12333342 0.78 ESR2 (0.49) ESR2NR1H2NPC1RAB9AMAPT
SCHEMBL12105509 0.78 ESR2 (0.51) ESR2NR1H2NPC1RAB9AMAPT
SCHEMBL12106768 0.77 ESR2 (0.44) ESR2NR1H2NPC1RAB9AMAPT
SCHEMBL12333335 0.76 ESR2 (0.43) ESR2NR1H2NPC1RAB9AMAPT
SCHEMBL12107007 0.75 ESR2 (0.46) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL12105505 0.75 ESR2 (0.51) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL7868104 0.74 ESR2 (0.63) ESR2NR1H2NPC1RAB9ALMNA

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 12 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-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
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
WO-2011111817-A1 BENZAZEPINE COMPOUND アステラス製薬株式会社 (JP) 2011-09-15 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 (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 1241/4885NPC1 3584/4885
US-20110269744-A1 Benzazepine Compound HTR2C, HTR3C, HTR2A ESR2 185/4885NR1H2 881/4885NPC1 3341/4885
US-20130059837-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR2 182/4885NR1H2 1241/4885NPC1 3584/4885
US-20150315208-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR2 182/4885NR1H2 1241/4885NPC1 3584/4885

“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.