SCHEMBL718909

SCHEMBL718909

CCn1nc(-c2ccc(OC(F)(F)F)cc2)cc1C(O)(CC(C)C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.41
GIPR P48546 5/20 0.41
FAAH O00519 1/20 0.40
DDHD2 O94830 1/20 0.38
DAGLB Q8NCG7 2/20 0.35
DAGLA Q9Y4D2 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34

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
SCHEMBL718416 0.75 GCGR (0.46) GCGRGIPRFAAHDDHD2DAGLB
SCHEMBL718910 0.72 GCGR (0.41) GCGRGIPRFAAHDDHD2DAGLB
SCHEMBL3403205 0.70 FAAH (0.43) GCGRFAAHDAGLAKDM4EGAA
SCHEMBL4683632 0.67 GCGR (0.49) GCGRGIPRFAAHMAPT
SCHEMBL716806 0.66 GCGR (0.43) GCGRKDM4EGAAMAPTMAPK1
SCHEMBL718990 0.66 FAAH (0.59) GCGRFAAHKDM4EGAAMAPT
SCHEMBL4677624 0.65 GCGR (0.41) GCGRGIPRDAGLAKDM4EGAA
SCHEMBL4679879 0.63 MAPT (0.53) GCGRFAAHDAGLAMAPT
SCHEMBL14445954 0.63 GCGR (0.42) GCGRKDM4EGAAMAPTMAPK1
SCHEMBL2250990 0.63 GCGR (0.75) GCGRGIPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 41/4885FAAH 4513/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885GIPR 41/4885FAAH 4513/4885

“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.