SCHEMBL4019541

SCHEMBL4019541

Cc1cccc(C2C(C(=O)c3ccccc3)CN(CCC(=O)O)CC2C(=O)c2ccccc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
KIF11 P52732 1/20 0.36
RORC P51449 1/20 0.36
CCR5 P51681 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
SLC6A1 P30531 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 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
SCHEMBL4019539 1.00 KCNH2 (0.36) KCNH2KIF11RORCCCR5ALDH1A1
SCHEMBL4776377 0.89 KCNH2 (0.42) KCNH2KIF11RORCALDH1A1KMT2A
SCHEMBL4780207 0.89 L3MBTL1 (0.37) KCNH2KIF11RORCCCR5ALDH1A1
SCHEMBL4772352 0.89 L3MBTL1 (0.37) KCNH2KIF11RORCCCR5ALDH1A1
SCHEMBL4024639 0.89 OPRM1 (0.36) KCNH2KIF11RORCCCR5SLC6A1
SCHEMBL4024642 0.89 OPRM1 (0.36) KCNH2KIF11RORCCCR5SLC6A1
SCHEMBL4772648 0.88 KIF11 (0.44) KCNH2KIF11RORCCCR5ALDH1A1
SCHEMBL4021213 0.88 GRIN2B (0.38) KCNH2KIF11RORCALDH1A1KMT2A
SCHEMBL4022415 0.88 GRIN2B (0.38) KCNH2KIF11RORCALDH1A1KMT2A
SCHEMBL4021208 0.88 GRIN2B (0.38) KCNH2KIF11RORCALDH1A1KMT2A

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