SCHEMBL1295143

SCHEMBL1295143

CC(=O)c1cc2c(cc1O)CCN(C(=O)C(F)(F)F)CC2C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 8/20 0.41
▸ ESR2 Q92731 8/20 0.41
▸ KDM1A O60341 4/20 0.36
▸ MAOA P21397 2/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ABHD6 Q9BV23 1/20 0.34

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
SCHEMBL1094695 0.84 HTR2A (0.47) ESR1ESR2KDM1ADRD1MAPK1
SCHEMBL1095022 0.84 ESR1 (0.45) ESR1ESR2DRD1THPOHSD17B10
SCHEMBL1095978 0.84 ESR1 (0.42) ESR1ESR2KDM1AMAOADRD1
SCHEMBL12110142 0.83 MAOA (0.35) MAOADRD1MAPK1THPOHIF1A
SCHEMBL2310177 0.82 ESR2 (0.52) ESR1ESR2ABHD6
SCHEMBL1294025 0.81 ESR2 (0.46) ESR2MAOAMAPK1KDM4EMAPT
SCHEMBL23745324 0.80 ESR1 (0.45) ESR1ESR2DRD1THPOHSD17B10
SCHEMBL31121185 0.80 ESR1 (0.45) ESR1ESR2DRD1THPOHSD17B10
SCHEMBL12110125 0.80 MAOA (0.40) MAOADRD1MAPK1THPOHIF1A
SCHEMBL4932882 0.79 ESR2 (0.60) ESR1ESR2DRD1DRD2ABHD6

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 18 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

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 ESR1 216/4885ESR2 182/4885KDM1A 722/4885
US-20110269744-A1 Benzazepine Compound HTR2C, HTR3C, HTR2A ESR1 205/4885ESR2 185/4885KDM1A 893/4885
US-20130059837-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR1 216/4885ESR2 182/4885KDM1A 722/4885
US-20150315208-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C ESR1 216/4885ESR2 182/4885KDM1A 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.

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