SCHEMBL4019675

SCHEMBL4019675

CNC(=O)CN1C[C@H](C(=O)c2ccccn2)C(c2cccc(F)c2C)[C@@H](C(=O)c2ccccn2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
DRD4 P21917 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
GRM4 Q14833 1/20 0.35
NTRK1 P04629 1/20 0.34
CD274 Q9NZQ7 3/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MDM2 Q00987 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 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
SCHEMBL4019678 1.00 NPC1 (0.36) NPC1MAPTRAB9APOLBDRD4
SCHEMBL4025211 0.88 NPC1 (0.38) NPC1MAPTRAB9ADRD4CYP3A4
SCHEMBL4025206 0.88 NPC1 (0.38) NPC1MAPTRAB9ADRD4CYP3A4
SCHEMBL4023587 0.87 EED (0.41) NPC1MAPTRAB9ACYP3A4CYP2C9
SCHEMBL4023583 0.87 EED (0.41) NPC1MAPTRAB9ACYP3A4CYP2C9
SCHEMBL4023704 0.83 KMT2A (0.37) NPC1RAB9ADRD4NTRK1CD274
SCHEMBL4023706 0.83 KMT2A (0.37) NPC1RAB9ADRD4NTRK1CD274
SCHEMBL4019455 0.80 DRD4 (0.37) DRD4NTRK1
SCHEMBL4019453 0.80 DRD4 (0.37) DRD4NTRK1
SCHEMBL4022383 0.77 KDM2B (0.43) MAPTRAB9ADRD4DRD2

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 NPC1 263/4885MAPT 3009/4885RAB9A 2228/4885

“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.