SCHEMBL21800830

SCHEMBL21800830

O=C(O)[C@H]1CCC[C@@H]1C(=O)c1cc(C2CC2)c(OCc2ccccc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN7A Q01118 4/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ SCN9A Q15858 11/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ SCN5A Q14524 3/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL18556179 1.00 SCN7A (0.44) SCN7ARAB9ASCN9AMRGPRX4S1PR5
SCHEMBL18571134 1.00 SCN7A (0.44) SCN7ARAB9ASCN9AMRGPRX4S1PR5
SCHEMBL23861668 1.00 SCN7A (0.44) SCN7ARAB9ASCN9AMRGPRX4S1PR5
SCHEMBL23861709 0.90 SCN7A (0.45) SCN7ASCN9AMRGPRX4PTGDR2SCN5A
SCHEMBL23861690 0.88 SCN9A (0.45) SCN7ASCN9ASCN5A
SCHEMBL18571143 0.88 SCN7A (0.43) SCN7ASCN9ASCN5ATRPM8
SCHEMBL18556031 0.88 SCN7A (0.43) SCN7ASCN9ASCN5ATRPM8
SCHEMBL18556181 0.86 RAB9A (0.43) RAB9ASCN9AMRGPRX4S1PR5SCN5A
SCHEMBL18571084 0.86 SCN7A (0.46) SCN7ASCN9AMRGPRX4S1PR5PTGDR2
SCHEMBL17423083 0.82 SCN7A (0.51) SCN7ASCN9AMRGPRX4S1PR5PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-02-24 — — US disclosed
US-11130726-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-09-28 — — US disclosed
US-20200087239-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-03-19 — — 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 (3 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-11130726-B2 Therapeutic compounds and methods of use thereof RDX, C3AR1, LPXN SCN7A 1281/4885RAB9A 545/4885SCN9A 1789/4885
US-20200087239-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C3AR1, LPXN SCN7A 1281/4885RAB9A 545/4885SCN9A 1789/4885
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REN, RDX, MC2R SCN7A 1081/4885RAB9A 752/4885SCN9A 2486/4885

“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.

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