SCHEMBL4028142

SCHEMBL4028142

Cc1ccc([C@H]2[CH]CN(CCO)C[C@@H]2C(=O)c2ccccc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
F2R P25116 1/20 0.37
TP53 P04637 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
KCNA5 P22460 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC18A3 Q16572 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL4028267 0.84 L3MBTL1 (0.36) RORCMEN1KMT2AALDH1A1SLC18A3
SCHEMBL4022920 0.83 RORC (0.40) RORCTP53MEN1KMT2AKDM2B
SCHEMBL4026679 0.81 L3MBTL1 (0.34) RORCMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4024600 0.81 L3MBTL1 (0.34) RORCMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4020295 0.80 PDE10A (0.36) RORCALDH1A1
SCHEMBL4026677 0.80 ALDH1A1 (0.42) RORCMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4026859 0.78 HTR1A (0.36) RORCMEN1KMT2ACYP3A4CYP2D6
SCHEMBL4021193 0.78 ALDH1A1 (0.37) RORCTP53MEN1KMT2AALDH1A1
SCHEMBL4780139 0.77 HRH3 (0.42) RORCMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4021517 0.77 HRH3 (0.42) RORCMEN1KMT2ACYP1A2CYP3A4

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 RORC 183/4885F2R 4014/4885TP53 1/4885

“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.