SCHEMBL4080438

SCHEMBL4080438

Cn1c(C(=O)NC2CCCCC2)nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 1.00
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 1/20 0.48
MAOB P27338 1/20 0.48
TACR2 P21452 1/20 0.48
TACR3 P29371 1/20 0.48
OPRM1 P35372 1/20 0.48
S1PR1 P21453 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL1315944 0.89 CNR1 (1.00) CNR1MEN1KMT2ASMN1; SMN2S1PR1
SCHEMBL4076305 0.88 CNR1 (1.00) CNR1
SCHEMBL4087802 0.82 CNR1 (0.82) CNR1KMT2A
SCHEMBL1315685 0.79 CNR1 (1.00) CNR1HTT
SCHEMBL674885 0.77 CNR1 (1.00) CNR1
SCHEMBL4079314 0.77 CNR1 (1.00) CNR1
SCHEMBL675796 0.77 CNR1 (1.00) CNR1
SCHEMBL4084936 0.77 CNR1 (0.64) CNR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL2317499 0.77 CNR1 (0.62) CNR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL4080151 0.76 CNR1 (1.00) CNR1

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 11 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
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO 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 1/4885ALDH1A1 3232/4885LMNA 2696/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 CNR1 1/4885ALDH1A1 3232/4885LMNA 2696/4885

“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.