SCHEMBL14387929

SCHEMBL14387929

Cn1/c(=N/c2cccc(OC(F)(F)F)c2)n(Cc2ccc(CO)cc2)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 15/20 0.52
▸ GLP1R P43220 1/20 0.43
▸ GIPR P48546 1/20 0.43
▸ TRPC5 Q9UL62 3/20 0.43
▸ P2RX3 P56373 1/20 0.40
▸ MPI P34949 1/20 0.39
▸ TRPC1 P48995 1/20 0.38
▸ TRPC4 Q9UBN4 1/20 0.38

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
SCHEMBL14387849 0.89 GCGR (0.63) GCGRGLP1RGIPR
SCHEMBL5360807 0.88 GCGR (0.58) GCGRGLP1RGIPR
SCHEMBL5360803 0.88 GCGR (0.58) GCGRGLP1RGIPR
SCHEMBL14535135 0.83 GCGR (0.49) GCGRGLP1RGIPR
SCHEMBL14387758 0.83 GCGR (0.49) GCGRGLP1RGIPR
SCHEMBL14387974 0.82 GCGR (0.62) GCGRGLP1RGIPR
SCHEMBL14387942 0.80 GCGR (0.43) GCGR
SCHEMBL14387857 0.80 GCGR (0.53) GCGRGLP1RGIPR
SCHEMBL14387926 0.79 GCGR (0.50) GCGRGLP1RGIPR
SCHEMBL14356420 0.79 GCGR (0.65) GCGRGLP1RGIPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301036-B2 Cyclic guanidines, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-11-27 — — US disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 — — 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 (1 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-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use GCGR, GLP1R, GCG GCGR 1/4885GLP1R 2/4885GIPR 4/4885

“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.

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