SCHEMBL5656982

SCHEMBL5656982

Nc1ccc(C(O)c2ccccn2)c(OCC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.37
SYK P43405 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
THRB P10828 1/20 0.37
G6PD P11413 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.33
FFAR1 O14842 2/20 0.33

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
SCHEMBL5655536 0.81 MAPT (0.42) MAPTALDH1A1SYKKDM4EMEN1
SCHEMBL5655830 0.81 MAPT (0.42) MAPTL3MBTL1KDM4ETRPV3NPC1
SCHEMBL5656333 0.81 CNR2 (0.39) CNR2MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL5655397 0.73 MAPT (0.44) MAPTALDH1A1SYKL3MBTL1KDM4E
SCHEMBL5657659 0.73 MAPT (0.44) MAPTALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL23748188 0.71 MAPT (0.41) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL8616500 0.71 MAPT (0.44) MAPTALDH1A1L3MBTL1KDM4ECASP1
SCHEMBL10969215 0.69 ALDH1A1 (0.57) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL22426343 0.69 TRPV3 (0.46) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL30546700 0.69 TRPV3 (0.46) MAPTALDH1A1L3MBTL1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 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 (1 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 CNR2 170/4885MAPT 3095/4885ALDH1A1 519/4885

“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.