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SCHEMBL3400909

SCHEMBL3400909

CC(=O)Nc1c(C(=O)C(C)(C)O)oc2nc(-c3ccc(-c4cc[nH]n4)cc3Cl)c(-c3ccc(Cl)cc3)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 20/20 0.72
▸ CNR2 P34972 18/20 0.72
▸ GABRA1 P14867 3/20 0.66
▸ GABRB1 P18505 2/20 0.66
▸ GABRA5 P31644 2/20 0.66
▸ GABRA3 P34903 2/20 0.66
▸ GABRA2 P47869 2/20 0.66
▸ GABRB2 P47870 2/20 0.66
▸ GABRA4 P48169 2/20 0.66
▸ GABRA6 Q16445 2/20 0.66
▸ KCNH2 Q12809 1/20 0.61
▸ EGFR P00533 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ MAPK3 P27361 1/20 0.46
▸ OPRL1 P41146 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ SLC18A2 Q05940 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46

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
SCHEMBL3399737 0.94 CNR1 (0.72) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3399504 0.88 CNR1 (0.60) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3402293 0.88 CNR1 (0.57) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3396977 0.87 CNR1 (0.72) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3398327 0.87 CNR1 (0.70) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3397811 0.87 CNR1 (0.71) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL14028233 0.87 CNR1 (0.72) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3425227 0.85 CNR1 (0.79) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1627375 0.84 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5247347 0.83 CNR1 (0.75) CNR1CNR2GABRA1GABRB1GABRA5

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
EP-2146997-B1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-11-10 — — EP claimed
US-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-10-30 — — US claimed
EP-2146997-B1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-11-10 — — EP disclosed
US-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-10-30 — — US disclosed
US-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-10-30 — — US disclosed
US-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-10-30 — — US disclosed
WO-2008127585-A1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-23 — — 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 (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-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885GABRA1 66/4885

“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.