SCHEMBL4027446

SCHEMBL4027446

CC(=O)N(C)CCN1CC(C(=O)c2cccc(O)c2)C(c2cccc(F)c2C)C(C(=O)c2cccc(O)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
KDM2B Q8NHM5 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 1/20 0.32
OPRK1 P41145 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
BCHE P06276 1/20 0.32
HTR7 P34969 1/20 0.31
MGLL Q99685 1/20 0.31
KIF11 P52732 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 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
SCHEMBL4027439 1.00 OPRM1 (0.35) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4029041 0.92 KDM4E (0.38) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4778281 0.91 OPRM1 (0.31) OPRM1OPRD1
SCHEMBL4023578 0.91 HRH3 (0.32) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4779051 0.90 KDM4E (0.36) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL13721487 0.89 OPRM1 (0.35) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4028041 0.89 OPRM1 (0.35) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4028045 0.89 OPRM1 (0.35) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4019102 0.89 ACHE (0.37) BCHEHTR7MGLLKIF11KDM4E
SCHEMBL4780110 0.89 OPRM1 (0.33) OPRM1OPRD1KDM2BMEN1KMT2A

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 claimed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US claimed
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 OPRM1 4219/4885OPRD1 4504/4885KDM2B 3090/4885

“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.