SCHEMBL4022406

SCHEMBL4022406

CN(C)C(=O)CN1CC(C(=O)c2ccccc2)C(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
DRD4 P21917 1/20 0.46
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
RORC P51449 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 2/20 0.41

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
SCHEMBL4022405 1.00 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4019712 0.91 RORC (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4019710 0.91 RORC (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4024572 0.91 RORC (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4024195 0.89 KMT2A (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4024200 0.89 KMT2A (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4018988 0.89 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4018987 0.89 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4020502 0.89 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4021425 0.88 ALDH1A1 (0.45) CYP2D6KMT2AMEN1ALDH1A1RORC

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 CYP1A2 1563/4885CYP3A4 2489/4885CYP2D6 1752/4885

“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.