SCHEMBL4025458

SCHEMBL4025458

COCCN1C[CH][C@H](c2cccc(F)c2C)[C@@H](C(=O)c2cccc(O)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
MC4R P32245 1/20 0.36
KDM2B Q8NHM5 5/20 0.35
KDR P35968 5/20 0.33
RBP4 P02753 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NTRK1 P04629 1/20 0.33
MET P08581 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
F10 P00742 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 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
SCHEMBL4021429 0.91 MC4R (0.40) NPC1MC4RKDM2BRBP4NTRK1
SCHEMBL4026512 0.87 NPC1 (0.41) NPC1TNFRAB9ANOD1MC4R
SCHEMBL4776847 0.86 ESRRG (0.33) KDM2BMEN1KMT2A
SCHEMBL4026066 0.86 ESR1 (0.32) KDM2BMEN1KMT2A
SCHEMBL4021619 0.85 KDM2B (0.40) NPC1TNFRAB9ANOD1MC4R
SCHEMBL4751428 0.85 KIF11 (0.34) KDR
SCHEMBL4024173 0.84 KDM2B (0.33) KDM2BMEN1KMT2A
SCHEMBL4779138 0.84 MC4R (0.40) NPC1TNFRAB9ANOD1MC4R
SCHEMBL4779145 0.84 MC4R (0.40) NPC1TNFRAB9ANOD1MC4R
SCHEMBL4026418 0.84 KDM1A (0.32) KDM2B

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 NPC1 263/4885TNF 3755/4885RAB9A 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.