SCHEMBL3107604

SCHEMBL3107604

CCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(Nc1ccc(C(=O)N(C)CC(O)C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.37
GCG P01275 3/20 0.33
GCGR P47871 2/20 0.33
GIPR P48546 2/20 0.33
GLP1R P43220 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP2D6 P10635 1/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL3104110 0.90 GLP1R (0.39) MCHR1GCGGCGRGIPRGLP1R
SCHEMBL3109760 0.87 GCGR (0.42) MCHR1GCGGCGRGIPRGLP1R
SCHEMBL3102108 0.87 RCE1 (0.41) MCHR1GCGGCGRGIPRGLP1R
SCHEMBL3089995 0.85 MCHR1 (0.36) MCHR1GCGGCGRGIPRGLP1R
SCHEMBL3113352 0.82 GCGR (0.36) MCHR1GCGGCGRGIPRGLP1R
SCHEMBL3104664 0.82 GCGR (0.51) GCGGCGRGIPRGLP1R
SCHEMBL3094067 0.81 ALDH1A1 (0.39) CYP2D6TACR1
SCHEMBL3106477 0.81 GLP1R (0.37) MCHR1GCGGCGRGIPRGLP1R
SCHEMBL3105415 0.81 GLP1R (0.36) MCHR1GCGGCGRGIPRGLP1R
SCHEMBL3107023 0.80 GLP1R (0.39) MCHR1GCGGCGRGIPRGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP 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-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
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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 (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 MCHR1 213/4885GCG 11/4885GCGR 3/4885

“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.