SCHEMBL22473470

SCHEMBL22473470

CCC(C)(C)N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccnn1C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL22473295 0.88 SCN9A (0.42) SCN9APRMT5WDR77
SCHEMBL22473156 0.88 SCN9A (0.42) SCN9APRMT5WDR77
SCHEMBL22473438 0.77 SCN9A (0.39) SCN9APRMT5WDR77
SCHEMBL23493056 0.74 SCN9A (0.33) SCN9A
SCHEMBL22473377 0.73 SCN9A (0.37) SCN9A
SCHEMBL22473378 0.70 SCD (0.32) SCN9APRMT5WDR77
SCHEMBL22473301 0.67 MPO (0.35) SCN9A
SCHEMBL22473550 0.67 MPO (0.35) SCN9A
SCHEMBL20449204 0.67 MPO (0.35) SCN9A
SCHEMBL20449288 0.67 MPO (0.35) SCN9A

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-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 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-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB SCN9A 256/4885PRMT5 92/4885WDR77 589/4885

“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.