SCHEMBL3731440

SCHEMBL3731440

COC(=O)N1CCN(Cc2ccc(Cl)c(CNC(=O)Nc3ccc(C)nc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FAAH O00519 5/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MCHR1 Q99705 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL3738865 0.93 NAMPT (0.45) NAMPTPIK3CAMTORPIK3CDPIK3CB
SCHEMBL3734324 0.92 MEN1 (0.44) NAMPTFAAHMAPTSMN1; SMN2EPHX2
SCHEMBL3746384 0.91 PIK3CA (0.42) NAMPTPIK3CAMTORPIK3CDPIK3CB
SCHEMBL4721274 0.91 FAAH (0.44) NAMPTFAAHMAPTNPC1RAB9A
SCHEMBL3742347 0.90 FAAH (0.41) NAMPTPIK3CAMTORPIK3CDPIK3CB
SCHEMBL401129 0.87 SMN1; SMN2 (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4709225 0.87 NAMPT (0.43) NAMPTMAPTNPC1RAB9ATP53
SCHEMBL3731808 0.86 CHRM3 (0.47) NAMPTMAPTNPC1RAB9ATP53
SCHEMBL3209620 0.86 NAMPT (0.49) NAMPTPIK3CAMTORPIK3CDPIK3CB
SCHEMBL3199773 0.86 NAMPT (0.49) NAMPTPIK3CAPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US claimed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 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 (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-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 NAMPT 3645/4885PIK3CA 4067/4885MTOR 1762/4885

“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.