SCHEMBL11895584

SCHEMBL11895584

O[C@]12CCCC[C@@H]1CCCC2Nc1cccc2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.48
▸ P2RX7 Q99572 12/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SYK P43405 1/20 0.38

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
SCHEMBL11895564 0.82 TRPA1 (0.49) TRPA1P2RX7SMN1; SMN2MEN1KMT2A
SCHEMBL11895700 0.82 TRPA1 (0.53) TRPA1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11895233 0.78 ROCK2 (0.51) TRPA1CCNE1CDK2CDK5
SCHEMBL11895522 0.76 TRPA1 (0.56) TRPA1CCNE1CDK2CDK5MEN1
SCHEMBL11895342 0.75 TRPA1 (0.49) TRPA1SYK
SCHEMBL11895487 0.74 TRPA1 (0.60) TRPA1MEN1KMT2AALDH1A1
SCHEMBL11895617 0.74 TRPA1 (0.56) TRPA1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11966213 0.74 TRPA1 (0.56) TRPA1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11895381 0.74 TRPA1 (0.63) TRPA1MEN1KMT2AALDH1A1
SCHEMBL15827813 0.74 TRPA1 (0.56) TRPA1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US claimed
EP-2485737-B1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 — — EP claimed
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 — — US claimed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
EP-2485737-B1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 — — EP disclosed
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 — — US disclosed
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 — — US disclosed
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 — — 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-20120196894-A1 NOVEL TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885P2RX7 42/4885SMN1; SMN2 2557/4885

“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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