SCHEMBL721418

SCHEMBL721418

CCCCCCC(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.57
GIPR P48546 1/20 0.57
KCNH2 Q12809 1/20 0.57
PLA2G10 O15496 2/20 0.48
MAT2A P31153 1/20 0.43
MAPT P10636 1/20 0.43
PPARG P37231 1/20 0.42
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39

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
SCHEMBL2642765 0.84 PLA2G10 (0.52) GCGRGIPRKCNH2PLA2G10MAT2A
SCHEMBL2643993 0.84 GCGR (0.52) GCGRGIPRKCNH2PLA2G10MAT2A
SCHEMBL2643861 0.83 GCGR (0.56) GCGRGIPRKCNH2PLA2G10MAT2A
SCHEMBL2643230 0.83 GCGR (0.55) GCGRGIPRKCNH2PLA2G10MAT2A
SCHEMBL2643736 0.81 GCGR (0.51) GCGRGIPRKCNH2PLA2G10MAT2A
SCHEMBL2643458 0.79 GCGR (0.54) GCGRGIPRKCNH2PLA2G10MAT2A
SCHEMBL718533 0.75 RXFP1 (0.52)
SCHEMBL719164 0.74 GCGR (0.55) GCGRGIPRKCNH2MAT2AMAPT
SCHEMBL2662074 0.74 GCGR (1.00) GCGRGIPRKCNH2
SCHEMBL928245 0.74 GCGR (1.00) GCGRGIPRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed
US-7598398-B2 Acyl indoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 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 (3 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885GIPR 41/4885KCNH2 2392/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885GIPR 41/4885KCNH2 2392/4885
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R GCGR 6/4885GIPR 4/4885KCNH2 1542/4885

“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.