SCHEMBL4083519

SCHEMBL4083519

Cn1cnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.56
KDM4C Q9H3R0 2/20 0.51
KDM5A P29375 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
HSD11B1 P28845 2/20 0.50
CNR1 P21554 1/20 0.46
OPRL1 P41146 1/20 0.46
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
F2RL3 Q96RI0 1/20 0.44

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
SCHEMBL4084965 0.89 KDM4C (0.61) NSD2KDM4CKDM5BHSD11B1CNR1
SCHEMBL4562976 0.88 KDM4C (0.51) NSD2KDM4CKDM5AKDM5BHSD11B1
SCHEMBL4085411 0.88 KDM4C (0.57) NSD2KDM4CKDM5AKDM5BHSD11B1
SCHEMBL4085395 0.82 MAPK14 (0.58) NSD2KDM4CKDM5AKDM5B
SCHEMBL4076257 0.81 DPP4 (0.49) NSD2HSD11B1CNR1OPRL1DPP4
SCHEMBL4076134 0.73 OPRL1 (0.38) NSD2HSD11B1CNR1OPRL1
SCHEMBL4076136 0.73 OPRL1 (0.40) CNR1OPRL1
SCHEMBL4075928 0.72 DPP4 (0.49) HSD11B1OPRL1DPP4DPP8
Cyclohexane Carboxamide SCHEMBL27759599 0.72 CNR1 (0.52) KDM4CCNR1OPRL1
SCHEMBL19465343 0.72 KDM5A (0.46) KDM4CKDM5AKDM5BHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1482794-A1 METHOD OF TREATMENT OR PREVENTION OF OBESITY Merck & Co., Inc. (US) 2004-12-08 EP disclosed
WO-2003075660-A1 METHOD OF TREATMENT OR PREVENTION OF OBESITY MERCK & CO., INC. (US) 2003-09-18 WO disclosed
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2003-06-19 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 (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 NSD2 2527/4885KDM4C 3003/4885KDM5A 2455/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 NSD2 2527/4885KDM4C 3003/4885KDM5A 2455/4885
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 NSD2 1604/4885KDM4C 3666/4885KDM5A 1991/4885

“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.