Sugi Predict

Sugi Predict / Compounds / SCHEMBL12333344

SCHEMBL12333344

SCHEMBL12333344

CC1(C)CCc2cc3c(cc2N1)CCN(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.48
▸ NR1H2 P55055 2/20 0.44
▸ KDM1A O60341 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PGR P06401 3/20 0.39
▸ AR P10275 3/20 0.39
▸ CRBN Q96SW2 2/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ACACB O00763 2/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ DDB1 Q16531 1/20 0.37

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
SCHEMBL12110616 0.84 ALDH1A1 (0.42) MAPTALDH1A1LMNAPGRAR
SCHEMBL1294136 0.80 ESR2 (0.50) ESR2NR1H2MAPTNPC1RAB9A
SCHEMBL1294417 0.78 ESR2 (0.50) ESR2NR1H2MAPTNPC1RAB9A
SCHEMBL12333342 0.76 ESR2 (0.49) ESR2NR1H2KDM1AMAPTNPC1
SCHEMBL12333346 0.74 ESR2 (0.49) ESR2NR1H2MAPTNPC1RAB9A
SCHEMBL12333107 0.73 POLB (0.47) ESR2NR1H2MAPTNPC1RAB9A
SCHEMBL719713 0.73 NR1H2 (0.62) ESR2NR1H2KDM1AMAPTNPC1
SCHEMBL1294170 0.71 ESR2 (0.46) ESR2NR1H2MAPTKDM4ETHRB
SCHEMBL12107007 0.71 ESR2 (0.46) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL12106422 0.71 ESR2 (0.46) ESR2NR1H2KDM1ANPC1RAB9A

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 7 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-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-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
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 (3 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 1241/4885KDM1A 722/4885
US-20130059837-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR2 182/4885NR1H2 1241/4885KDM1A 722/4885
US-20150315208-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR2 182/4885NR1H2 1241/4885KDM1A 722/4885

“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.