SCHEMBL4085407

SCHEMBL4085407

CCCNC(=O)c1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1C

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.66
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 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
SCHEMBL4080806 0.90 CNR1 (0.81) CNR1MEN1KMT2A
SCHEMBL4079877 0.82 CNR1 (0.67) CNR1NPC1RAB9A
SCHEMBL4085408 0.81 CNR1 (0.57) CNR1MEN1KMT2ATP53LMNA
SCHEMBL4080428 0.80 CNR1 (1.00) CNR1KDM4E
SCHEMBL4078116 0.79 CNR1 (0.79) CNR1
SCHEMBL4075934 0.79 CNR1 (0.79) CNR1TP53RAB9A
SCHEMBL4082543 0.78 CNR1 (0.64) CNR1KDM4ELMNA
SCHEMBL4075806 0.77 CNR1 (0.57) CNR1KDM4ENPC1RAB9A
SCHEMBL4075638 0.77 CNR1 (0.62) CNR1NPC1RAB9A
SCHEMBL1315944 0.77 CNR1 (1.00) CNR1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057051-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2006-06-06 US claimed
US-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2006-04-27 US claimed
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2003-06-19 US claimed
US-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7057051-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2006-06-06 US disclosed
US-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2006-04-27 US disclosed
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2003-06-19 US disclosed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO 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 (2 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-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 CNR1 1/4885MEN1 209/4885KMT2A 2183/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 CNR1 1/4885MEN1 209/4885KMT2A 2183/4885

“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.