SCHEMBL29482015

SCHEMBL29482015

CN(C1CCC1)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.50
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39

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
SCHEMBL21306637 1.00 SCN9A (0.50) SCN9APOLBRAB9ATAS1R3TAS1R1
SCHEMBL29482010 1.00 SCN9A (0.50) SCN9APOLBRAB9ATAS1R3TAS1R1
SCHEMBL20063852 0.91 SCN9A (0.48) SCN9A
SCHEMBL20072906 0.91 SCN9A (0.48) SCN9A
SCHEMBL20063765 0.91 SCN9A (0.48) SCN9A
SCHEMBL20063766 0.91 SCN9A (0.48) SCN9A
SCHEMBL21296523 0.89 SCN9A (0.42) SCN9A
SCHEMBL21294888 0.89 SCN9A (0.42) SCN9A
SCHEMBL21294862 0.87 SCN9A (0.51) SCN9APOLBRAB9ATAS1R3TAS1R1
SCHEMBL21294965 0.87 SCN9A (0.43) 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-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 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-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 SCN9A 90/4885POLB 4466/4885RAB9A 3448/4885

“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.