SCHEMBL4019064

SCHEMBL4019064

CNCCNc1[c]ccc([C@H]2CN(CCNC)C[C@H](C(=O)c3cccc(OC)c3)[C@@H]2c2cccc(F)c2C)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR3 P51677 2/20 0.34
DRD4 P21917 8/20 0.34
DRD2 P14416 3/20 0.34
MCHR1 Q99705 5/20 0.33
KDM2B Q8NHM5 3/20 0.33
KCNH2 Q12809 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4027102 0.91 MEN1 (0.31) KMT2A
SCHEMBL4025759 0.87 KDM2B (0.35) HTTKMT2ACCR3DRD4DRD2
SCHEMBL4776307 0.86 KDM2B (0.37) HTTKMT2ACCR3DRD4DRD2
SCHEMBL4023627 0.80 KDM2B (0.39) HTTKMT2ACCR3DRD4DRD2
SCHEMBL13721312 0.80 KDM2B (0.39) HTTKMT2ACCR3DRD4DRD2
SCHEMBL4022127 0.80 KDM2B (0.39) HTTKMT2ACCR3DRD4DRD2
SCHEMBL4023629 0.80 KDM2B (0.39) HTTKMT2ACCR3DRD4DRD2
SCHEMBL4751954 0.80 DRD4 (0.44) HTTKMT2ACCR3DRD4DRD2
SCHEMBL4025349 0.79 DRD4 (0.43) HTTKMT2ACCR3DRD4DRD2
SCHEMBL4022527 0.78 CARM1 (0.31) KMT2A

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 HTT 2084/4885KMT2A 2820/4885CCR3 1181/4885

“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.