SCHEMBL4019477

SCHEMBL4019477

COC(=O)NCCN1C[C@H](C(=O)c2cccc(OC)c2)[C@@H](c2cccc(F)c2C)[C@@H](C(=O)c2ccccc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCR3 P51677 1/20 0.40
DRD2 P14416 3/20 0.40
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM2B Q8NHM5 3/20 0.38
MCHR1 Q99705 1/20 0.38
OPRM1 P35372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL4022127 0.92 KDM2B (0.39) DRD4CYP2C9CYP2C19CCR3DRD2
SCHEMBL13721312 0.92 KDM2B (0.39) DRD4CYP2C9CYP2C19CCR3DRD2
SCHEMBL4023627 0.92 KDM2B (0.39) DRD4CYP2C9CYP2C19CCR3DRD2
SCHEMBL4023629 0.92 KDM2B (0.39) DRD4CYP2C9CYP2C19CCR3DRD2
SCHEMBL4021684 0.90 KDM2B (0.38) DRD4CYP2C9CYP2C19DRD2SMN1; SMN2
SCHEMBL4026436 0.88 KDM2B (0.42) DRD2THRBSMN1; SMN2RXFP1KDM2B
SCHEMBL13721566 0.88 DRD4 (0.42) DRD4CYP2C9CYP2C19CCR3DRD2
SCHEMBL4022167 0.88 DRD4 (0.42) DRD4CYP2C9CYP2C19CCR3DRD2
SCHEMBL4022160 0.88 DRD4 (0.42) DRD4CYP2C9CYP2C19CCR3DRD2
SCHEMBL4020496 0.86 DRD4 (0.34) DRD4CYP2C9CYP2C19CCR3DRD2

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 DRD4 2983/4885CYP2C9 3168/4885CYP2C19 2371/4885

“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.