SCHEMBL1404572

SCHEMBL1404572

CC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.44
CNR2 P34972 4/20 0.42
SERPINE1 P05121 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
TNKS2 Q9H2K2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PTGS2 P35354 1/20 0.37
CHEK1 O14757 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5252174 0.88 GSK3B (0.44) CNR1CNR2SERPINE1MALT1
SCHEMBL5252558 0.86 SLC6A3 (0.58) CNR1CNR2SLC6A4SLC6A3MALT1
SCHEMBL1404554 0.86 CHRNA7 (0.45) CNR1CNR2SERPINE1SLC6A4SLC6A3
SCHEMBL1404667 0.84 KMT2A (0.39) CNR1CNR2SERPINE1KMT2ARXFP1
SCHEMBL5358142 0.76 SRD5A2 (0.49) CNR1
SCHEMBL1404528 0.76 KDM4E (0.51) CNR1CNR2
SCHEMBL1404527 0.76 CNR1 (0.44) CNR1CNR2SERPINE1MALT1TNKS2
SCHEMBL5355715 0.76 MAPK14 (0.50) SERPINE1KMT2AMALT1RXFP1
SCHEMBL5358072 0.75 CNR1 (0.50) CNR1CNR2SLC6A4SLC6A3CHEK1
SCHEMBL5373926 0.74 MALT1 (0.53) CNR1SERPINE1MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999107-B2 Psychological disorders; cognition activators; Alzheimer's disease; headaches; nervous system antiinflammatory agents; antiepileptic agents; Parkinson's disease; Huntington's disease; schizophrenia; eating disorders MERCK SHARP & DOHME CORP. (US) 2011-08-16 US disclosed
EP-2109615-B1 SUBSTITUTED PYRANO [2, 3 - B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-03-09 EP disclosed
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-08-28 US disclosed
WO-2008094473-A1 SUBSTITUTED PYRANO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-08-07 WO 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-20050272763-A1 Substituted furo[2,3-b]pyridine derivatives CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885SERPINE1 1156/4885
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885SERPINE1 1415/4885

“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.