SCHEMBL5249166

SCHEMBL5249166

CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 1.00
CNR2 P34972 18/20 1.00
GABRA1 P14867 2/20 0.88
GABRB1 P18505 2/20 0.88
GABRA5 P31644 2/20 0.88
GABRA3 P34903 2/20 0.88
GABRA2 P47869 2/20 0.88
GABRB2 P47870 2/20 0.88
GABRA4 P48169 2/20 0.88
GABRA6 Q16445 2/20 0.88
KCNH2 Q12809 1/20 0.88

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
SCHEMBL1627689 0.94 CNR1 (0.88) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628047 0.94 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5249483 0.93 CNR1 (0.87) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628214 0.92 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1629780 0.92 CNR1 (0.88) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1629988 0.91 CNR1 (0.84) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628944 0.91 CNR1 (0.84) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5249755 0.91 CNR1 (0.84) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5249058 0.91 CNR1 (0.86) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628698 0.91 CNR1 (1.00) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558252-B1 SUBSTITUTED FURO [2,3-B]PYRIDINE DERIVATIVES MERCK & CO INC (US) 2007-10-10 EP claimed
US-7091216-B2 Substituted furo[2,3-b]pyridine derivatives MERCK & CO., INC. (US) 2006-08-15 US claimed
US-20050272763-A1 Substituted furo[2,3-b]pyridine derivatives MERCK SHARP & DOHME CORP. 2005-12-08 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
WO-2008127585-A1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-23 WO disclosed
EP-1558252-B1 SUBSTITUTED FURO [2,3-B]PYRIDINE DERIVATIVES MERCK & CO INC (US) 2007-10-10 EP disclosed
EP-1558252-B1 SUBSTITUTED FURO [2,3-B]PYRIDINE DERIVATIVES MERCK & CO INC (US) 2007-10-10 EP disclosed
US-7091216-B2 Substituted furo[2,3-b]pyridine derivatives MERCK & CO., INC. (US) 2006-08-15 US disclosed
EP-1558252-A4 SUBSTITUTED FURO 2,3-B| PYRIDINE DERIVATIVES MERCK & CO INC (US) 2006-05-17 EP disclosed
US-20050272763-A1 Substituted furo[2,3-b]pyridine derivatives MERCK SHARP & DOHME CORP. 2005-12-08 US disclosed
EP-1558252-A2 SUBSTITUTED FURO 2,3-B] PYRIDINE DERIVATIVES Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004012671-A2 SUBSTITUTED FURO [2,3-B] PYRIDINE DERIVATIVES MERCK & CO., INC. (US) 2004-02-12 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-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885GABRA1 66/4885
US-20050272763-A1 Substituted furo[2,3-b]pyridine derivatives CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885GABRA1 19/4885

“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.