SCHEMBL12667751

SCHEMBL12667751

[C-]#[N+]c1ccc(Oc2ncnc(OC3CCN(c4nc(C(C)C)no4)CC3)c2C#C)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL386296 0.88 GPR119 (0.49) GPR119CYP3A4CYP2C19
SCHEMBL12667244 0.86 GPR119 (0.48) GPR119CYP3A4CYP2C19
SCHEMBL386367 0.86 GPR119 (0.66) GPR119CYP3A4CYP2C19
SCHEMBL12667741 0.79 GPR119 (0.58) GPR119
SCHEMBL13404814 0.79 GPR119 (0.53) GPR119CYP3A4CYP2C19
SCHEMBL390415 0.78 GPR119 (0.52) GPR119CYP3A4CYP2C19
SCHEMBL13404919 0.78 GPR119 (0.55) GPR119CYP3A4CYP2C19
SCHEMBL13404841 0.78 GPR119 (0.52) GPR119CYP3A4CYP2C19
SCHEMBL13404856 0.78 GPR119 (0.55) GPR119CYP3A4CYP2C19
SCHEMBL13404884 0.77 GPR119 (0.54) GPR119CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546429-B2 1,2,3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20110112060-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-7838525-B2 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2010-11-23 US disclosed
US-7470699-B2 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
US-20070155763-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the phophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-07-05 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 (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-20110112060-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO CYP7A1, CYP27A1, SULT2A1 GPR119 25/4885CYP3A4 48/4885CYP2C19 74/4885
US-20070155763-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the phophylaxis and treatment of disorders related thereto CYP27A1, CYP11B2, CYP11B1 GPR119 6/4885CYP3A4 41/4885CYP2C19 38/4885

“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.