SCHEMBL12596441

SCHEMBL12596441

Cc1ncccc1Oc1ncnc2c1ccn2C1CCN(C(=O)Oc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ PIK3CD O00329 1/20 0.45
▸ GPR119 Q8TDV5 14/20 0.43
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39

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
SCHEMBL12596819 0.95 GPR119 (0.42) TRPA1TRPV1PIK3CDGPR119
SCHEMBL12596803 0.89 GPR119 (0.48) GPR119
SCHEMBL12596500 0.87 GPR119 (0.47) GPR119
SCHEMBL12596437 0.86 GPR119 (0.47) GPR119
SCHEMBL12596486 0.86 GPR119 (0.47) GPR119
SCHEMBL12596480 0.85 GPR119 (0.46) TRPA1TRPV1GPR119
SCHEMBL12596462 0.83 GPR119 (0.51) GPR119
SCHEMBL12596485 0.83 GPR119 (0.47) GPR119
SCHEMBL12596356 0.83 GPR119 (0.54) GPR119
SCHEMBL12596402 0.83 GPR119 (0.53) GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION 2011-05-19 — — US disclosed
US-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION 2011-05-19 — — 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-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS GPR119, GCGR, GPR35 TRPA1 286/4885TRPV1 192/4885PIK3CD 1354/4885

“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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