SCHEMBL3106978

SCHEMBL3106978

Cc1cn(-c2ccnc(Cl)c2)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GCG P01275 13/20 0.40
▸ RCE1 Q9Y256 1/20 0.37
▸ GFER P55789 1/20 0.35
▸ GCGR P47871 2/20 0.33
▸ GLP1R P43220 1/20 0.33
▸ GIPR P48546 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ S1PR1 P21453 1/20 0.31

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
SCHEMBL3242886 0.93 NAMPT (0.36) GCGRCE1GFERHPGDMAPK14
SCHEMBL3101632 0.87 GCG (0.54) GCGGCGRGLP1RGIPR
SCHEMBL3104351 0.85 GCG (0.37) GCGRCE1GCGRGLP1RGIPR
SCHEMBL3106837 0.84 GCG (0.38) GCGRCE1GCGRGLP1RGIPR
SCHEMBL3110027 0.83 GCG (0.43) GCGGCGRGLP1RGIPR
SCHEMBL3100120 0.80 RCE1 (0.35) GCGRCE1GCGRGLP1RGIPR
SCHEMBL720570 0.77 GCG (0.44) GCGRCE1GCGRGLP1RGIPR
SCHEMBL719899 0.77 GCG (0.45) GCGRCE1GCGRGLP1RGIPR
SCHEMBL718414 0.76 GCG (0.43) GCGRCE1GCGRGLP1RGIPR
SCHEMBL3110145 0.74 RCE1 (0.40) GCGRCE1HPGD

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-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 — — US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 — — US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 — — US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 — — US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 — — US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 — — 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR GCG 11/4885RCE1 3126/4885GFER 1343/4885

“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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