SCHEMBL4021408

SCHEMBL4021408

Cc1c(Cl)cccc1C1[C@@H](C(=O)c2ccccc2)CN(CC(=O)N(C)C)C[C@@H]1C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RECQL P46063 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
DRD4 P21917 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
KCNH2 Q12809 1/20 0.34
FFAR2 O15552 3/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
S1PR1 P21453 1/20 0.34
P2RX7 Q99572 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL4021412 1.00 RORC (0.36) RORCCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL4019216 0.91 RORC (0.39) RORCCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL4019220 0.91 RORC (0.39) RORCCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL4020344 0.89 KIF11 (0.37) RORCCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL4020347 0.89 KIF11 (0.37) RORCCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL4024526 0.89 KIF11 (0.37) RORCCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL4827913 0.88 MAPT (0.34) CYP2C9CYP1A2CYP3A4MEN1KMT2A
SCHEMBL4021771 0.87 RORC (0.34) RORCCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL4028974 0.87 RORC (0.36) RORCCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL4019982 0.87 KMT2A (0.39) RORCDRD4MEN1KMT2AMAPK1

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 183/4885CYP2D6 1752/4885CYP2C9 3168/4885

“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.