SCHEMBL4022006

SCHEMBL4022006

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(C(=O)CCCN(C)C)CC1C(=O)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
KDR P35968 3/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
BCHE P06276 1/20 0.33
MGLL Q99685 3/20 0.32
HSP90B1 P14625 1/20 0.32
TRAP1 Q12931 1/20 0.32
TACR1 P25103 1/20 0.32
KIF11 P52732 1/20 0.31
REN P00797 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR4 P31391 1/20 0.31
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31

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
SCHEMBL4022000 1.00 SIGMAR1 (0.37) SIGMAR1KDROPRD1OPRK1BCHE
SCHEMBL4019114 0.95 SIGMAR1 (0.38) SIGMAR1KDROPRD1OPRK1BCHE
SCHEMBL4019124 0.95 SIGMAR1 (0.38) SIGMAR1KDROPRD1OPRK1BCHE
SCHEMBL4749341 0.88 KIF11 (0.35) KDRBCHEHSP90B1TRAP1KIF11
SCHEMBL4749343 0.88 KIF11 (0.35) KDRBCHEHSP90B1TRAP1KIF11
SCHEMBL4021764 0.84 MGLL (0.36) OPRD1OPRK1BCHEMGLLKIF11
SCHEMBL4021758 0.84 MGLL (0.36) OPRD1OPRK1BCHEMGLLKIF11
SCHEMBL4022425 0.84 KIF11 (0.42) KDROPRD1OPRK1BCHEMGLL
SCHEMBL4749489 0.84 KIF11 (0.36) KDRBCHEKIF11
SCHEMBL4749485 0.84 KIF11 (0.36) KDRBCHEKIF11

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 SIGMAR1 3578/4885KDR 4166/4885OPRD1 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.