SCHEMBL3222048

SCHEMBL3222048

CCn1cc(-c2ccc(C[C@@H](CNC(=O)CN3CCC3)NC(=O)c3ccc(O[C@H](C)C(F)(F)F)c(Cl)c3)cc2)nc1C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.48
AVPR1B P47901 13/20 0.36
KIFC1 Q9BW19 1/20 0.36
RORC P51449 1/20 0.34
NPC1 O15118 1/20 0.33
S1PR1 P21453 1/20 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
SCHEMBL3222061 1.00 CENPE (0.48) CENPEAVPR1BKIFC1RORCNPC1
SCHEMBL10215197 0.94 CENPE (0.48) CENPEAVPR1BKIFC1RORC
SCHEMBL2617458 0.94 CENPE (0.48) CENPEAVPR1BKIFC1RORC
SCHEMBL3228743 0.94 CENPE (0.48) CENPEAVPR1BKIFC1RORC
SCHEMBL3233756 0.91 CENPE (0.47) CENPEAVPR1BKIFC1S1PR1
SCHEMBL13161500 0.91 CENPE (0.51) CENPEAVPR1BKIFC1RORCNPC1
SCHEMBL13625010 0.91 CENPE (0.51) CENPEAVPR1BKIFC1RORCNPC1
SCHEMBL3462567 0.91 CENPE (0.51) CENPEAVPR1BKIFC1RORCNPC1
SCHEMBL3234614 0.89 CENPE (0.61) CENPEAVPR1BKIFC1RORCNPC1
SCHEMBL3234625 0.89 CENPE (0.61) CENPEAVPR1BKIFC1RORCNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US claimed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US claimed
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP claimed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US claimed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 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 (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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 CENPE 54/4885AVPR1B 4801/4885KIFC1 4/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885AVPR1B 4801/4885KIFC1 4/4885

“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.