SCHEMBL4022928

SCHEMBL4022928

CN(C)C(=O)CN1CC(C(=O)c2ccccc2)C(c2cccc(CO)c2)C(C(=O)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
GRIN2B Q13224 5/20 0.36
GRIN1 Q05586 1/20 0.36
F10 P00742 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
BRD4 O60885 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL4022926 1.00 RORC (0.41) RORCDRD2DRD3OPRM1OPRD1
SCHEMBL4026664 0.91 RORC (0.41) RORCOPRM1OPRD1GRIN2BGRIN1
SCHEMBL4026663 0.91 RORC (0.41) RORCOPRM1OPRD1GRIN2BGRIN1
SCHEMBL4749113 0.90 OPRM1 (0.41) RORCOPRM1OPRD1OPRK1GRIN2B
SCHEMBL4813149 0.88 KMO (0.42) RORCDRD2DRD3OPRD1GRIN2B
SCHEMBL4751373 0.88 CYP2D6 (0.45) RORCDRD2OPRK1HTR2A
SCHEMBL4019712 0.87 RORC (0.43) RORCGRIN2BMEN1KMT2A
SCHEMBL4019710 0.87 RORC (0.43) RORCGRIN2BMEN1KMT2A
SCHEMBL4024572 0.87 RORC (0.43) RORCGRIN2BMEN1KMT2A
SCHEMBL4020117 0.87 GRIN2B (0.40) DRD2DRD3GRIN2B

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 RORC 183/4885DRD2 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.