SCHEMBL15021787

SCHEMBL15021787

COc1cccc(C(N)c2ncccc2C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 6/20 0.45
▸ NFE2L2 Q16236 2/20 0.41
▸ DYRK1A Q13627 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ ROCK2 O75116 3/20 0.38
▸ AOC3 Q16853 2/20 0.37
▸ AKR1C4 P17516 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ AR P10275 1/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14405541 1.00 TRPM8 (0.45) TRPM8NFE2L2DYRK1ACLK4ROCK1
SCHEMBL14405625 0.85 TRPM8 (0.53) TRPM8NFE2L2CLK4
SCHEMBL15023734 0.85 TRPM8 (0.53) TRPM8NFE2L2CLK4
Hydrochloric Acid SCHEMBL15021305 0.84 TRPM8 (0.52) TRPM8NFE2L2CLK4
Hydrochloric Acid SCHEMBL15021302 0.84 TRPM8 (0.52) TRPM8NFE2L2CLK4
SCHEMBL15021812 0.83 TRPM8 (0.53) TRPM8ROCK1
SCHEMBL14405534 0.83 TRPM8 (0.53) TRPM8ROCK1
SCHEMBL15021334 0.81 TRPM8 (0.42) TRPM8
SCHEMBL14405578 0.81 TRPM8 (0.53) TRPM8KCNA5L3MBTL1
SCHEMBL15022557 0.81 TRPM8 (0.53) TRPM8KCNA5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 — — US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 — — US disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 — — US disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 — — US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 — — 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 (3 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-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 TRPM8 1/4885NFE2L2 3338/4885DYRK1A 3477/4885
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 TRPM8 1/4885NFE2L2 3338/4885DYRK1A 3477/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 TRPM8 1/4885NFE2L2 3338/4885DYRK1A 3477/4885

“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.

Send feedback