SCHEMBL31745693

SCHEMBL31745693

Nc1cncc(N2CCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.38
CYP11B1 P15538 4/20 0.38
SCN9A Q15858 4/20 0.36
KCNH2 Q12809 2/20 0.36
SCN5A Q14524 1/20 0.36
DRD2 P14416 1/20 0.36
CYP19A1 P11511 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
AOC3 Q16853 2/20 0.34
MAPK14 Q16539 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
F10 P00742 1/20 0.33
KIF11 P52732 1/20 0.33
SCN7A Q01118 1/20 0.33

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
SCHEMBL31745597 0.85 DRD2 (0.45) CYP11B2CYP11B1SCN9ADRD2AOC3
SCHEMBL31745602 0.81 TGM2 (0.40) CYP11B2CYP11B1
SCHEMBL31745705 0.78 DRD2 (0.39) CYP11B2CYP11B1SCN9AKCNH2SCN5A
SCHEMBL807791 0.77 CYP11B2 (0.45) CYP11B2CYP11B1CYP19A1
SCHEMBL31745659 0.75 DRD2 (0.40) SCN9AKCNH2DRD2AOC3KIF11
SCHEMBL28057343 0.75 BCAT2 (0.44) CYP11B2CYP11B1DRD2CYP19A1AOC3
SCHEMBL31745586 0.75 SCN9A (0.36) SCN9AKCNH2DRD2FNTAFNTB
SCHEMBL31745706 0.75 CHEK2 (0.39) SCN9AKCNH2SCN7A
SCHEMBL31745633 0.75 SCN9A (0.36) SCN9AKCNH2DRD2SCN7A
SCHEMBL31745671 0.73 DRD2 (0.39) CYP11B2CYP11B1SCN9ADRD2AOC3

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 CYP11B2 64/4885CYP11B1 100/4885SCN9A 915/4885

“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.