SCHEMBL11910682

SCHEMBL11910682

CCc1ccc(C(F)(F)F)cc1CCC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.44
▸ DAO P14920 4/20 0.38
▸ ESR1 P03372 3/20 0.38
▸ ESR2 Q92731 3/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ KIF11 P52732 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
SCHEMBL3094588 0.85 TRPV1 (0.41) TRPV1DAOPDE3BPDE3AIDO1
SCHEMBL12809047 0.84 PPARG (0.44) DAOESR1ESR2IDO1PDE2A
SCHEMBL15133743 0.83 ESR1 (0.44) DAOESR1ESR2IDO1PDE2A
SCHEMBL11910661 0.82 TRPV1 (0.41) TRPV1DAOIDO1PDE2A
SCHEMBL11998329 0.81 TRPV1 (0.46) TRPV1DAOPDE3BPDE3AIDO1
SCHEMBL18874188 0.81 IDO1 (0.51) TRPV1DAOIDO1PDE2AKIF11
SCHEMBL3096219 0.78 TRPV1 (0.54) TRPV1
SCHEMBL13550340 0.78 ESR1 (0.40) DAOESR1ESR2IDO1PDE2A
SCHEMBL13707019 0.77 TRPV1 (0.46) TRPV1DAOPDE3BPDE3AIDO1
SCHEMBL10233691 0.77 ESR1 (0.43) DAOESR1ESR2IDO1PDE2A

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
US-8232411-B2 Methods for making central nervous system agents that are TRPV1 antagonists ABBOTT LABORATORIES (US) 2012-07-31 — — US disclosed
US-8232411-B2 Methods for making central nervous system agents that are TRPV1 antagonists ABBOTT LABORATORIES (US) 2012-07-31 — — US disclosed
US-20100016611-A1 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-01-21 — — US disclosed
US-20100016611-A1 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-01-21 — — US 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-20100016611-A1 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS TRPV1, TRPV2, OPRL1 TRPV1 1/4885DAO 1954/4885ESR1 2232/4885

“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.

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