SCHEMBL4020618

SCHEMBL4020618

CCN1C[C@H](C(=O)c2ccccc2)C(c2cccc(C)c2C)[C@@H](C(=O)c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.41
KCNH2 Q12809 1/20 0.38
RORC P51449 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL4776377 0.90 KCNH2 (0.42) KIF11KCNH2RORCALDH1A1LMNA
SCHEMBL4022415 0.89 GRIN2B (0.38) KIF11KCNH2RORCALDH1A1LMNA
SCHEMBL4021213 0.89 GRIN2B (0.38) KIF11KCNH2RORCALDH1A1LMNA
SCHEMBL4021208 0.89 GRIN2B (0.38) KIF11KCNH2RORCALDH1A1LMNA
SCHEMBL4780207 0.88 L3MBTL1 (0.37) KIF11KCNH2RORCALDH1A1LMNA
SCHEMBL4772352 0.88 L3MBTL1 (0.37) KIF11KCNH2RORCALDH1A1LMNA
SCHEMBL4019541 0.87 KCNH2 (0.36) KIF11KCNH2RORCALDH1A1LMNA
SCHEMBL4019539 0.87 KCNH2 (0.36) KIF11KCNH2RORCALDH1A1LMNA
SCHEMBL4772648 0.87 KIF11 (0.44) KIF11KCNH2RORCALDH1A1LMNA
SCHEMBL4020620 0.87 GRIN2B (0.37) KIF11KCNH2RORCALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 KIF11 3745/4885KCNH2 3099/4885RORC 183/4885

“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.