SCHEMBL3104602

SCHEMBL3104602

CCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(Cl)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.37
GABBR2 O75899 3/20 0.35
GABBR1 Q9UBS5 3/20 0.35
ERAP1 Q9NZ08 2/20 0.34
TRPV3 Q8NET8 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP4B1 P13584 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP2A7 P20853 1/20 0.33
CYP3A7 P24462 1/20 0.33
CYP2F1 P24903 1/20 0.33
CYP2C18 P33260 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
SCHEMBL3106691 0.88 TRPV1 (0.34) TRPV1GABBR2GABBR1ERAP1TRPV3
SCHEMBL3089887 0.88 TRPV1 (0.35) TRPV1GABBR2GABBR1ERAP1TRPV3
SCHEMBL3110237 0.86 PDE2A (0.42) TRPV1GABBR2GABBR1ERAP1TRPV3
SCHEMBL3111672 0.85 TRPV1 (0.39) TRPV1GABBR2GABBR1TRPV3CYP1A1
SCHEMBL3099505 0.83 KDM4E (0.33)
SCHEMBL3107518 0.80 TRPV1 (0.39) TRPV1GABBR2GABBR1TRPV3CYP1A1
SCHEMBL3102108 0.76 RCE1 (0.41) TRPV1ERAP1CYP3A4MCHR1
SCHEMBL3099931 0.76 PPARD (0.41) TRPV1MCHR1
SCHEMBL3104386 0.75 PDE2A (0.43) TRPV1ERAP1CYP1A1CYP1A2CYP2E1
SCHEMBL3106480 0.75 PDE2A (0.39) TRPV1ERAP1TRPV3MCHR1AR

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 2757/4885GABBR2 836/4885GABBR1 815/4885

“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.