SCHEMBL22809609

SCHEMBL22809609

NCCOc1nccc2cc(C(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKCH P24723 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ NOS3 P29474 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ ROCK1 Q13464 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ GRM4 Q14833 4/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ MAT2A P31153 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
Hydrochloric Acid SCHEMBL30449677 0.99 PRKCH (0.41) PRKCHPRKCEPRKCQPRKCDNOS3
Hydrochloric Acid SCHEMBL20595188 0.99 PRKCH (0.41) PRKCHPRKCEPRKCQPRKCDNOS3
SCHEMBL28354716 0.82 GRM4 (0.41) GRM4SCN9A
SCHEMBL20595192 0.78 GRM4 (0.41) GRM4SCN9A
SCHEMBL22809487 0.74 GAK (0.45) NOS3NOS2DYRK1AGSK3BGRM4
SCHEMBL28354520 0.74 GRM4 (0.44) DYRK1AGRM4SCN9A
SCHEMBL19732851 0.72 NOS3 (0.50) NOS3NOS2TAAR1GRM4PARP1
SCHEMBL20595229 0.70 NOS3 (0.43) NOS3NOS2ROCK1DYRK1AGSK3B
SCHEMBL30450234 0.70 NOS3 (0.43) NOS3NOS2ROCK1DYRK1AGSK3B
SCHEMBL22809472 0.70 BACE1 (0.54) BACE1SCN9A

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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 — — US disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 — — EP 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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A PRKCH 3410/4885PRKCE 3389/4885PRKCQ 1979/4885

“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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