SCHEMBL719164

SCHEMBL719164

CCCCCCC(Nc1ccc(C(=O)O)cc1)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.55
GIPR P48546 1/20 0.55
KCNH2 Q12809 1/20 0.55
MAT2A P31153 1/20 0.38
OXER1 Q8TDS5 1/20 0.37
SERPINE1 P05121 1/20 0.36
MAPT P10636 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
SCHEMBL716441 0.93 GCGR (0.53) GCGRGIPRKCNH2MAT2A
SCHEMBL719587 0.90 GCGR (0.69) GCGRGIPRKCNH2
SCHEMBL721555 0.90 GCGR (0.55) GCGRGIPRKCNH2MAPT
SCHEMBL721420 0.87 GCGR (0.60) GCGRGIPRKCNH2
SCHEMBL722052 0.86 GCGR (0.48) GCGRGIPRKCNH2
SCHEMBL719157 0.85 GCGR (0.51) GCGRGIPRKCNH2MAPT
SCHEMBL3403361 0.81 GCGR (0.48) GCGRGIPRKCNH2MAT2ASERPINE1
SCHEMBL718652 0.80 OXER1 (0.48) OXER1
SCHEMBL2643992 0.74 GCGR (0.60) GCGRGIPRKCNH2
SCHEMBL721418 0.74 GCGR (0.57) GCGRGIPRKCNH2MAT2AMAPT

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-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
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-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

“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.