SCHEMBL3104091

SCHEMBL3104091

CC(O)c1cc(-c2ccc(C(F)(F)F)cc2)oc1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.40
PDE2A O00408 3/20 0.40
CETP P11597 3/20 0.36
AR P10275 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP2A7 P20853 1/20 0.35
CYP3A7 P24462 1/20 0.35
CYP2F1 P24903 1/20 0.35
CYP2C18 P33260 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3102525 0.89 PSEN1 (0.37) TRPV1PDE2ACETPCYP3A4CYP2C9
SCHEMBL3106831 0.80 NR1H4 (0.40) TRPV1CYP3A4CYP2C9CYP2C8KMT2A
SCHEMBL3109809 0.79 PDE2A (0.45) TRPV1PDE2AARCYP3A4CYP2C9
SCHEMBL3110083 0.79 TRPV1 (0.40) TRPV1ARCYP3A4CYP2C9CYP1A1
SCHEMBL3110167 0.77 PDE2A (0.43) TRPV1PDE2AARCYP3A4CYP2C9
SCHEMBL3095207 0.76 PPARD (0.38) CETPCYP2C8NPSR1PTGDR2
SCHEMBL3111672 0.74 TRPV1 (0.39) TRPV1ARCYP3A4CYP2C9CYP1A1
SCHEMBL3110237 0.74 PDE2A (0.42) TRPV1PDE2AARMEN1GAA
SCHEMBL3098853 0.74 MAOA (0.41) TRPV1CYP2D6CYP2C19MEN1GAA
SCHEMBL3104386 0.74 PDE2A (0.43) TRPV1PDE2AARCYP3A4CYP2C9

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 TRPV1 2757/4885PDE2A 1858/4885CETP 4351/4885

“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.