SCHEMBL23491988

SCHEMBL23491988

CC(C)(C)N1CC[C@H](C(F)(F)F)CC1c1ccn[nH]1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
RIPK1 Q13546 1/20 0.39
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CYP19A1 P11511 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL22473163 1.00 SCN9A (0.40) SCN9ARIPK1PRMT5WDR77CYP19A1
SCHEMBL22473473 1.00 SCN9A (0.40) SCN9ARIPK1PRMT5WDR77CYP19A1
SCHEMBL22473296 0.82 RIPK1 (0.38) RIPK1PRMT5WDR77CYP19A1CYP11B2
SCHEMBL22473380 0.81 SCN9A (0.38) SCN9ARIPK1PRMT5WDR77
SCHEMBL22473215 0.76 PRMT5 (0.45) RIPK1PRMT5WDR77CYP19A1CYP11B2
SCHEMBL22473352 0.76 PRMT5 (0.45) RIPK1PRMT5WDR77CYP19A1CYP11B2
SCHEMBL22473156 0.74 SCN9A (0.42) SCN9APRMT5WDR77
SCHEMBL22473186 0.73 RIPK1 (0.40) SCN9ARIPK1
SCHEMBL22473188 0.73 RIPK1 (0.40) SCN9ARIPK1
SCHEMBL22473175 0.73 RIPK1 (0.40) SCN9ARIPK1

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-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 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-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB SCN9A 256/4885RIPK1 3202/4885PRMT5 92/4885

“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.