SCHEMBL4028041

SCHEMBL4028041

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCN(C)S(C)(=O)=O)CC1C(=O)c1cccc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.35
OPRD1 P41143 5/20 0.35
KDM1A O60341 2/20 0.34
KDM2B Q8NHM5 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
BCHE P06276 1/20 0.31
HTR7 P34969 1/20 0.31
MGLL Q99685 1/20 0.31
KIF11 P52732 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
SCHEMBL13721487 1.00 OPRM1 (0.35) OPRM1OPRD1KDM1AKDM2BMEN1
SCHEMBL4028045 1.00 OPRM1 (0.35) OPRM1OPRD1KDM1AKDM2BMEN1
SCHEMBL4751549 0.97 OPRM1 (0.34) OPRM1OPRD1KDM1AKDM2BMEN1
SCHEMBL4751548 0.97 OPRM1 (0.34) OPRM1OPRD1KDM1AKDM2BMEN1
SCHEMBL4772539 0.97 OPRM1 (0.34) OPRM1OPRD1KDM1AKDM2BMEN1
SCHEMBL4786324 0.93 OPRM1 (0.32) OPRM1OPRD1KDM1AKCNH2MCHR1
SCHEMBL4021234 0.92 OPRD1 (0.33) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4029041 0.91 KDM4E (0.38) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4020283 0.89 KDM1A (0.34) OPRM1OPRD1KDM1AKDM2BKCNH2
SCHEMBL4027446 0.89 OPRM1 (0.35) OPRM1OPRD1KDM1AKDM2BMEN1

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 4 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
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 OPRM1 4219/4885OPRD1 4504/4885KDM1A 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.