SCHEMBL31745705

SCHEMBL31745705

Nc1cccc(N2CCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3C2=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
SCN9A Q15858 7/20 0.39
KIF11 P52732 1/20 0.38
KCNH2 Q12809 3/20 0.37
GPR52 Q9Y2T5 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SCN7A Q01118 1/20 0.36
AOC3 Q16853 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAP3K5 Q99683 1/20 0.35
SCN5A Q14524 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
CYP11B1 P15538 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
SCHEMBL31745616 0.88 MAPK14 (0.39) DRD2SCN9AKIF11MAPK14
SCHEMBL31745674 0.87 SCN9A (0.38) DRD2SCN9AGPR52GRIN2DGRIN3B
SCHEMBL31745611 0.86 SCN9A (0.39) SCN9AAOC3
SCHEMBL31745596 0.85 KIF11 (0.37) DRD2SCN9AKIF11KCNH2GPR52
SCHEMBL31027291 0.85 DRD2 (0.38) DRD2SCN9AKIF11KCNH2SCN7A
SCHEMBL31745597 0.82 DRD2 (0.45) DRD2SCN9AKIF11AOC3MAOA
SCHEMBL31745588 0.81 EPHB4 (0.39) SCN9AKCNH2SCN7A
SCHEMBL31745688 0.80 SCN9A (0.34) DRD2SCN9AKIF11KCNH2GPR52
SCHEMBL31745589 0.80 ROCK1 (0.37) DRD2SCN9AKCNH2GPR52AOC3
SCHEMBL31745693 0.78 CYP11B2 (0.38) DRD2SCN9AKIF11KCNH2SCN7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382279-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-12-18 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-20250382279-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR YAP1, YES1, LATS1 DRD2 998/4885SCN9A 915/4885KIF11 622/4885

“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.