Sugi Predict

Sugi Predict / Compounds / SCHEMBL11896124

SCHEMBL11896124

SCHEMBL11896124

N#Cc1ccccc1NC1CCC[C@H]2CCCC[C@]12O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.52
▸ PGR P06401 4/20 0.45
▸ AR P10275 4/20 0.45
▸ NR3C2 P08235 3/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ NR3C1 P04150 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE5A O76074 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ F2R P25116 1/20 0.32

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
SCHEMBL11895381 0.80 TRPA1 (0.63) TRPA1PGRKMT2AL3MBTL1KDM4E
SCHEMBL11966213 0.80 TRPA1 (0.56) TRPA1PGRARNR3C2KMT2A
SCHEMBL15827813 0.80 TRPA1 (0.56) TRPA1PGRARNR3C2L3MBTL1
SCHEMBL11895617 0.80 TRPA1 (0.56) TRPA1PGRARNR3C2KMT2A
SCHEMBL11954677 0.80 TRPA1 (0.56) TRPA1PGRARNR3C2KMT2A
SCHEMBL11895455 0.78 TRPA1 (0.53) TRPA1KMT2AKDM4EGAAHPGD
SCHEMBL11895700 0.78 TRPA1 (0.53) TRPA1KMT2AKDM4EGAAHPGD
SCHEMBL11965971 0.77 TRPA1 (0.55) TRPA1KMT2AL3MBTL1KDM4EGAA
SCHEMBL11967257 0.77 TRPA1 (0.55) TRPA1KMT2AL3MBTL1KDM4EGAA
SCHEMBL11895276 0.77 TRPA1 (0.55) TRPA1KMT2AL3MBTL1KDM4EGAA

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 9 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
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 1/4885PGR 4490/4885AR 2693/4885

“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.