SCHEMBL4029050

SCHEMBL4029050

CN(CCN1C[C@H](C(=O)c2cccc(O)c2)[C@H](c2cccc(Cl)c2Cl)[C@@H](c2[c]cccc2O)C1)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM1A O60341 1/20 0.32
KIF11 P52732 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL4020432 0.93 KCNH2 (0.33) KCNH2MCHR1KDM1A
SCHEMBL4022340 0.88 KDM1A (0.31) KCNH2MCHR1KDM1A
SCHEMBL4019903 0.88 KDM1A (0.31) KCNH2MCHR1KDM1A
SCHEMBL4774673 0.81
SCHEMBL4027285 0.79 MEN1 (0.35) KCNH2MCHR1KDM1ADRD2DRD1
SCHEMBL4774163 0.74 KDM2B (0.31)
SCHEMBL4028041 0.74 OPRM1 (0.35) KCNH2MCHR1KDM1AKIF11
SCHEMBL4028045 0.74 OPRM1 (0.35) KCNH2MCHR1KDM1AKIF11
SCHEMBL13721487 0.74 OPRM1 (0.35) KCNH2MCHR1KDM1AKIF11
SCHEMBL4020283 0.74 KDM1A (0.34) KCNH2MCHR1KDM1AKIF11DRD2

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 KCNH2 3099/4885MCHR1 3670/4885KDM1A 3938/4885

“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.