SCHEMBL4024121

SCHEMBL4024121

Cc1cccc(C2[C@@H](C(=O)c3cccc(F)c3)CN(CCCN3CCCC3=O)C[C@@H]2C(=O)c2cccc(F)c2)c1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ADRA1B P35368 3/20 0.42
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
KMT2A Q03164 1/20 0.38
FSHR P23945 1/20 0.38
ADRA1A P35348 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
SCHEMBL4020789 1.00 NPC1 (0.43) NPC1RAB9AADRA1BUSP2POLB
SCHEMBL4020787 1.00 NPC1 (0.43) NPC1RAB9AADRA1BUSP2POLB
SCHEMBL4027966 0.90 ADRA1B (0.48) ADRA1BUSP2POLBALDH1A1KCNH2
SCHEMBL4027971 0.90 ADRA1B (0.48) ADRA1BUSP2POLBALDH1A1KCNH2
SCHEMBL4022116 0.86 CYP2C9 (0.41) USP2ALDH1A1KCNH2KMT2AADRA1A
SCHEMBL4019805 0.84 ALDH1A1 (0.41) NPC1RAB9APOLBALDH1A1TP53
SCHEMBL4026452 0.82 ALDH1A1 (0.40) POLBALDH1A1MCHR1KMT2A
SCHEMBL4028159 0.81 ALDH1A1 (0.39) POLBALDH1A1MCHR1KMT2A
SCHEMBL4021786 0.81 ALDH1A1 (0.42) NPC1RAB9AALDH1A1TP53GLA
SCHEMBL4019066 0.80 POLB (0.38) NPC1RAB9AADRA1BUSP2POLB

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 263/4885RAB9A 2228/4885ADRA1B 4417/4885

“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.