SCHEMBL4021402

SCHEMBL4021402

CN(C)C(=O)CN1C[C@H](C(=O)c2ccccc2)C(c2cccc(Cl)c2)[C@@H](C(=O)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
RORC P51449 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
CCR5 P51681 2/20 0.40
HTT P42858 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 2/20 0.39
DRD4 P21917 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KIF11 P52732 1/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4021403 1.00 KMT2A (0.45) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4024195 0.91 KMT2A (0.41) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4024200 0.91 KMT2A (0.41) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4813149 0.89 KMO (0.42) KMT2AMEN1RORCKDM2BMAPK1
SCHEMBL4019710 0.88 RORC (0.43) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4024572 0.88 RORC (0.43) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4019712 0.88 RORC (0.43) KMT2AMEN1RORCCYP1A2CYP3A4
SCHEMBL4020120 0.88 GRIN2B (0.40) DRD4KIF11
SCHEMBL4024495 0.88 DRD2 (0.43) KMT2AMEN1RORCDRD4
SCHEMBL4024492 0.88 DRD2 (0.43) KMT2AMEN1RORCDRD4

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 KMT2A 2820/4885MEN1 77/4885RORC 183/4885

“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.