SCHEMBL3403205

SCHEMBL3403205

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.43
GCGR P47871 10/20 0.42
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
CYP1A2 P05177 2/20 0.39
SCN5A Q14524 1/20 0.39
DAGLA Q9Y4D2 1/20 0.38
SCN9A Q15858 2/20 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
SCHEMBL718910 0.83 GCGR (0.41) FAAHGCGRKDM4EDAGLA
SCHEMBL718416 0.81 GCGR (0.46) FAAHGCGRDAGLA
SCHEMBL4683632 0.76 GCGR (0.49) FAAHGCGRMAPT
SCHEMBL718990 0.74 FAAH (0.59) FAAHGCGRKDM4EGAAMAPT
SCHEMBL716806 0.72 GCGR (0.43) GCGRKDM4EGAAMAPTMAPK1
SCHEMBL4679879 0.72 MAPT (0.53) FAAHGCGRMAPTDAGLA
SCHEMBL4677624 0.71 GCGR (0.41) GCGRKDM4EGAAMAPTMAPK1
SCHEMBL718909 0.70 GCGR (0.41) FAAHGCGRKDM4EGAAMAPT
SCHEMBL27875559 0.69 MAPT (0.44) GCGRKDM4EGAAMAPTMAPK1
SCHEMBL14445954 0.69 GCGR (0.42) GCGRKDM4EGAAMAPTMAPK1

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-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
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 (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-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP FAAH 4513/4885GCGR 90/4885KDM4E 1907/4885

“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.