SCHEMBL1942565

SCHEMBL1942565

COC(=O)c1ccc(OCC(C)(F)F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ESRRA P11474 1/20 0.44
CFTR P13569 2/20 0.43
ALOX5AP P20292 2/20 0.43
KDM4E B2RXH2 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
NOTUM Q6P988 1/20 0.40
AR P10275 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL1941122 0.87 THRA (0.45) CYP1A2CYP2C9ALDH1A1KDM4ETHRA
SCHEMBL25935035 0.83 THRA (0.54) CYP1A2CYP2C9ESRRACFTRALOX5AP
SCHEMBL16726459 0.83 THRA (0.60) ALDH1A1ESRRACFTRKDM4ETHRA
SCHEMBL1941888 0.83 CFTR (0.43) CYP1A2CYP2C9ALDH1A1ESRRACFTR
SCHEMBL25317633 0.82 THRA (0.47) CYP1A2CYP2C9ALDH1A1ESRRACFTR
SCHEMBL4841210 0.82 THRA (0.47) CYP1A2CYP2C9ESRRACFTRALOX5AP
SCHEMBL27647625 0.82 THRA (0.50) CYP1A2CYP2C9ESRRACFTRALOX5AP
SCHEMBL22979384 0.82 KDM4E (0.51) CYP1A2CYP2C9ALDH1A1ESRRACFTR
SCHEMBL1941489 0.81 XDH (0.43) CYP1A2CYP2C9ALDH1A1ESRRACFTR
SCHEMBL1941633 0.81 CFTR (0.42) CYP1A2CYP2C9ALDH1A1ESRRACFTR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1619185-B1 4,4-DIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-06-15 EP disclosed
US-7807664-B2 4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine derivative or salt thereof ASTELLA PHARMA INC. (JP) 2010-10-05 US disclosed
CN-101279971-A 4,4-difluoro-1,2,3,4-tetrahydro-5h-1-benzoazepine derivative or salt of the same ASTELLAS PHARMA INC (JP) 2008-10-08 CN disclosed
CN-100404511-C 4, 4-difluoro-1, 2,3, 4-tetrahydro-5H-1-benzazepine * derivatives or salts thereof ASTELLAS PHARMA INC (JP) 2008-07-23 CN disclosed
US-20070167429-A1 4,4-Difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
US-7183271-B2 4,4-difluoro-1,2,3,4-tetrahydro-5h-1-benzazepine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-20060122170-A1 4,4-difluoro-1,2,3,4-tetrahydro-5h-1-benzazepine derivative or salt thereof ASTELLA PHARMA INC. (JP) 2006-06-08 US disclosed
CN-1780819-A 4, 4-difluoro-1, 2,3, 4-tetrahydro-5H-1-benzazepine * derivatives or salts thereof ASTELLAS PHARMA INC (JP) 2006-05-31 CN disclosed
EP-1619185-A1 4,4-DIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-01-25 EP 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 (2 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-20070167429-A1 4,4-Difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine derivative or salt thereof SLC5A1, SLC5A2, DPP4 CYP1A2 3430/4885CYP2C9 2018/4885ALDH1A1 414/4885
US-20060122170-A1 4,4-difluoro-1,2,3,4-tetrahydro-5h-1-benzazepine derivative or salt thereof SLC5A1, SLC5A2, DPP4 CYP1A2 3430/4885CYP2C9 2018/4885ALDH1A1 414/4885

“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.