SCHEMBL4022340

SCHEMBL4022340

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCN(C)S(C)(=O)=O)C[C@@H]1c1[c]cccc1O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
KDM2B Q8NHM5 2/20 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
SCHEMBL4774673 0.94
SCHEMBL4019903 0.91 KDM1A (0.31) KDM1AKCNH2MCHR1
SCHEMBL4020432 0.89 KCNH2 (0.33) KDM1AKCNH2MCHR1
SCHEMBL4028045 0.88 OPRM1 (0.35) KDM1AOPRM1OPRD1KCNH2MCHR1
SCHEMBL13721487 0.88 OPRM1 (0.35) KDM1AOPRM1OPRD1KCNH2MCHR1
SCHEMBL4028041 0.88 OPRM1 (0.35) KDM1AOPRM1OPRD1KCNH2MCHR1
SCHEMBL4029050 0.88 KCNH2 (0.34) KDM1AKCNH2MCHR1
SCHEMBL4774163 0.87 KDM2B (0.31) KDM2B
SCHEMBL4772539 0.85 OPRM1 (0.34) KDM1AOPRM1OPRD1KCNH2MCHR1
SCHEMBL4751548 0.85 OPRM1 (0.34) KDM1AOPRM1OPRD1KCNH2MCHR1

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 KDM1A 3938/4885OPRM1 4219/4885OPRD1 4504/4885

“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.