SCHEMBL3096252

SCHEMBL3096252

CSCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.40
TRPV1 Q8NER1 4/20 0.38
EPHX1 P07099 4/20 0.34
TRPV3 Q8NET8 2/20 0.34
GABBR2 O75899 3/20 0.33
GABBR1 Q9UBS5 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AR P10275 1/20 0.32
MCHR1 Q99705 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL3110237 0.88 PDE2A (0.42) PDE2ATRPV1TRPV3GABBR2GABBR1
SCHEMBL3089887 0.87 TRPV1 (0.35) TRPV1EPHX1TRPV3GABBR2GABBR1
SCHEMBL3102319 0.85 KLKB1 (0.34)
SCHEMBL3111555 0.85 PDE2A (0.40) PDE2ATRPV1TRPV3MEN1GAA
SCHEMBL3106480 0.83 PDE2A (0.39) PDE2ATRPV1TRPV3MEN1GAA
SCHEMBL3109809 0.82 PDE2A (0.45) PDE2ATRPV1TRPV3GABBR2GABBR1
SCHEMBL3110167 0.80 PDE2A (0.43) PDE2ATRPV1TRPV3GABBR2GABBR1
SCHEMBL3101537 0.79 RCE1 (0.40) TRPV1MCHR1PPARD
SCHEMBL3100162 0.78 TRPV1 (0.41) PDE2ATRPV1TRPV3GABBR2GABBR1
SCHEMBL3104602 0.75 TRPV1 (0.37) TRPV1TRPV3GABBR2GABBR1AR

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 4 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-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 PDE2A 1858/4885TRPV1 2757/4885EPHX1 1828/4885

“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.