SCHEMBL4076271

SCHEMBL4076271

Cc1ccc(-c2nc(C(=O)OCc3ccccc3)n(C)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.51
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP19A1 P11511 1/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
DHODH Q02127 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPY1R P25929 1/20 0.43
MAOB P27338 1/20 0.43
ADORA2A P29274 1/20 0.43
RECQL P46063 1/20 0.43
NPY2R P49146 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
JAK2 O60674 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
SCHEMBL4077619 0.93 CNR1 (0.53) CNR1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4079600 0.89 CNR1 (0.53) CNR1KMT2AALDH1A1CYP19A1MEN1
SCHEMBL4075806 0.85 CNR1 (0.57) CNR1ALDH1A1CYP19A1MAPTKDM4E
SCHEMBL4085408 0.79 CNR1 (0.57) CNR1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4082543 0.78 CNR1 (0.64) CNR1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL20154164 0.76 ALDH1A1 (0.52) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4075638 0.74 CNR1 (0.62) CNR1SMN1; SMN2
SCHEMBL6553811 0.74 CYP19A1 (0.47) KMT2AALDH1A1CYP19A1MAPTSMN1; SMN2
SCHEMBL19864297 0.73 ALDH1A1 (0.55) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL19840110 0.73 KMT2A (0.65) KMT2AALDH1A1MAPTSMN1; SMN2MEN1

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
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-20050171161-A1 antagonizing Cannabinoid-1 (CB1) receptors and inhibiting the enzyme 11 beta -hydroxy steroid dehydrogenase-1 (11 beta -HSD1); appetite suppresion FONG TUNG M (US) 2005-08-04 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 (3 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 1/4885KMT2A 2183/4885ALDH1A1 3232/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 CNR1 1/4885KMT2A 2183/4885ALDH1A1 3232/4885
US-20050171161-A1 antagonizing Cannabinoid-1 (CB1) receptors and inhibiting the enzyme 11 beta -hydroxy steroid dehydrogenase-1 (11 beta -HSD1); appetite suppresion CNR1, HSD11B1, HSD17B1 CNR1 1/4885KMT2A 3110/4885ALDH1A1 453/4885

“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.