Sugi Predict

Sugi Predict / Compounds / SCHEMBL12110375

SCHEMBL12110375

SCHEMBL12110375

CC(C)(C)OC(=O)N1CCc2cc3c(c(-c4ccccc4)c2CC1)NCCC3

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.45
▸ KIT P10721 1/20 0.41
▸ UCHL1 P09936 2/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ CKS1B P61024 2/20 0.39
▸ SKP1 P63208 2/20 0.39
▸ SKP2 Q13309 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ SCD5 Q86SK9 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ PARP1 P09874 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
SCHEMBL12110154 0.90 ESR2 (0.40) MAPK1UCHL1ESR2NR1H2NPC1
SCHEMBL12110033 0.90 MAPK1 (0.39) MAPK1UCHL1ESR2NR1H2GPR119
SCHEMBL12110380 0.89 DGAT2 (0.41) MAPK1ESR2NR1H2USP30TSHR
SCHEMBL12110430 0.87 ESR2 (0.41) MAPK1ESR2NR1H2NPC1RAB9A
SCHEMBL12110094 0.85 USP30 (0.41) MAPK1KITUCHL1ESR2NR1H2
SCHEMBL12333325 0.84 CRBN (0.43) MAPK1KITUCHL1ESR2NR1H2
SCHEMBL1294896 0.83 ESR2 (0.43) MAPK1ESR2NR1H2NPC1RAB9A
SCHEMBL1294778 0.82 ESR2 (0.42) MAPK1ESR2NR1H2GPR119NPC1
SCHEMBL18648615 0.82 ESR2 (0.42) MAPK1ESR2NR1H2GPR119NPC1
SCHEMBL1294850 0.82 ESR2 (0.45) MAPK1ESR2NR1H2GPR119NPC1

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-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 MAPK1 3811/4885KIT 470/4885UCHL1 404/4885
US-20110269744-A1 Benzazepine Compound HTR2C, HTR3C, HTR2A MAPK1 3966/4885KIT 259/4885UCHL1 328/4885
US-20130059837-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C MAPK1 3811/4885KIT 470/4885UCHL1 404/4885
US-20150315208-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C MAPK1 3811/4885KIT 470/4885UCHL1 404/4885

“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.