SCHEMBL4020281

SCHEMBL4020281

Cc1cccc([C@@H]2[C@@H](C(=O)c3cccc(F)c3)CN(CCO)C[C@@H]2c2[c]cccc2F)c1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.34
NTRK1 P04629 1/20 0.34
MCHR1 Q99705 1/20 0.34
MC4R P32245 5/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MC5R P33032 2/20 0.31
MC1R Q01726 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4779421 0.93 MCHR1 (0.34) EEDMCHR1MC4RALDH1A1GAA
SCHEMBL4779404 0.93 MCHR1 (0.34) EEDMCHR1MC4RALDH1A1GAA
SCHEMBL4019099 0.91 ALDH1A1 (0.35) EEDMCHR1ALDH1A1GAAMEN1
SCHEMBL4023939 0.89 MCHR1 (0.37) MCHR1ALDH1A1GAAMEN1KMT2A
SCHEMBL4025011 0.86 MCHR1 (0.30) MCHR1
SCHEMBL4026452 0.86 ALDH1A1 (0.40) MCHR1ALDH1A1GAAMEN1KMT2A
SCHEMBL4028159 0.80 ALDH1A1 (0.39) MCHR1ALDH1A1GAAMEN1KMT2A
SCHEMBL4779411 0.79 MC4R (0.34) MCHR1MC4RALDH1A1GAAMEN1
SCHEMBL4021692 0.76 ALDH1A1 (0.38) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4022338 0.76 MEN1 (0.32) EEDNTRK1MC4RMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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 (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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 EED 1022/4885NTRK1 3738/4885MCHR1 3670/4885

“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.