SCHEMBL1067206

SCHEMBL1067206

CC(C)OC(=O)N1CCC(Oc2ccnc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.56
CHRM2 P08172 1/20 0.45
CYP2C9 P11712 1/20 0.44
LNPEP Q9UIQ6 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
SCHEMBL190497 0.84 GPR119 (0.53) GPR119
SCHEMBL29495616 0.84 GPR119 (0.53) GPR119
SCHEMBL2661814 0.83 EPHX2 (0.44) CYP2C9LNPEP
SCHEMBL1060162 0.81 GPR119 (0.49) GPR119CYP2C9
SCHEMBL1064645 0.81 GPR119 (0.52) GPR119
SCHEMBL288373 0.81 GPR119 (0.58) GPR119CYP2C9
SCHEMBL1066440 0.80 GPR119 (0.56) GPR119
SCHEMBL1895558 0.78 GPR119 (0.56) GPR119CYP2C9
SCHEMBL20354515 0.77 GPR119 (0.59) GPR119CHRM2
SCHEMBL12234578 0.77 HRH3 (0.47) LNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481731-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-09 US disclosed
EP-2445901-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO Boehringer Ingelheim International GmbH (DE) 2012-05-02 EP disclosed
US-20110021491-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
WO-2010149685-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 WO disclosed
US-20090036434-A1 Substituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2009-02-05 US disclosed
EP-1756084-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-11-26 EP disclosed
EP-1756084-A2 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2007-02-28 EP disclosed
WO-2005121121-A2 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2005-12-22 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-20090036434-A1 Substituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP11B1 GPR119 31/4885CHRM2 2409/4885CYP2C9 54/4885
US-20110021491-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO SLC10A1, NPY4R, CYP4B1 GPR119 57/4885CHRM2 103/4885CYP2C9 115/4885

“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.