SCHEMBL4893373

SCHEMBL4893373

CC(CNC(=O)Nc1ccc(OCC#N)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GPR174 Q9BXC1 1/20 0.43
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.43
NPY5R Q15761 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 2/20 0.42

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
SCHEMBL31054229 0.81 PPARA (0.58) NPC1RAB9AGPR174MAPK1PKM
SCHEMBL3668675 0.79 CASR (0.66) CASRNPC1RAB9AMAPK1ALDH1A1
SCHEMBL20597821 0.79 CASR (0.66) CASRNPC1RAB9AMAPK1ALDH1A1
SCHEMBL21611850 0.79 CASR (0.66) CASRNPC1RAB9AMAPK1ALDH1A1
SCHEMBL4901299 0.77 CA2 (0.61) NPC1RAB9AALDH1A1KMT2AEPHX1
SCHEMBL4113552 0.74 MAPT (0.68) NPC1RAB9AMAPK1ALDH1A1PKM
SCHEMBL4110299 0.74 RAB9A (0.67) NPC1RAB9AMAPK1ALDH1A1PKM
SCHEMBL4104760 0.74 MAPT (0.53) NPC1RAB9AGPR174MAPK1ALDH1A1
SCHEMBL4897147 0.74 EPHX1 (0.55) CASRNPC1RAB9AMAPK1ALDH1A1
SCHEMBL4124258 0.74 MAPT (0.64) NPC1RAB9AMAPK1ALDH1A1PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 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-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists CNR1, CNR2, GPR119 CASR 1353/4885NPC1 511/4885RAB9A 985/4885

“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.