SCHEMBL4021139

SCHEMBL4021139

COCCN1C[C@H](C(=O)c2cccc(O)c2)[C@@H](c2cccc(F)c2C)[C@@H](C(=O)c2cccc(OC)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 5/20 0.43
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TNF P01375 1/20 0.37
NOD1 Q9Y239 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
MGLL Q99685 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL4026512 0.95 NPC1 (0.41) KDM2BKMT2ARAB9ANPC1TNF
SCHEMBL4026114 0.92 KDM2B (0.41) KDM2BDRD2DRD3NPSR1KMT2A
SCHEMBL4025770 0.92 KDM2B (0.41) KDM2BDRD2DRD3NPSR1KMT2A
SCHEMBL4338025 0.92 KDM2B (0.41) KDM2BDRD2DRD3NPSR1KMT2A
SCHEMBL4338035 0.92 KDM2B (0.41) KDM2BDRD2DRD3NPSR1KMT2A
SCHEMBL4779145 0.91 MC4R (0.40) KDM2BESR1RAB9ANPC1TNF
SCHEMBL4779138 0.91 MC4R (0.40) KDM2BESR1RAB9ANPC1TNF
SCHEMBL4026436 0.90 KDM2B (0.42) KDM2BDRD2DRD3NPSR1KMT2A
SCHEMBL4028033 0.90 KDM2B (0.40) KDM2BNPSR1KMT2AHTTESR1
SCHEMBL4020026 0.90 KDM2B (0.42) KDM2BDRD2DRD3NPSR1KMT2A

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 7 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
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
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 KDM2B 3090/4885DRD2 3430/4885DRD3 3202/4885

“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.