SCHEMBL17427703

SCHEMBL17427703

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 9/20 0.55
▸ ROCK2 O75116 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.42
▸ PDK2 Q15119 2/20 0.41
▸ SCN5A Q14524 2/20 0.39
▸ AVPR2 P30518 1/20 0.38
▸ PARP1 P09874 1/20 0.37

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
SCHEMBL21075202 1.00 SCN9A (0.55) SCN9AROCK2ALDH1A1PDK2SCN5A
SCHEMBL19075763 0.89 ROCK2 (0.49) SCN9AROCK2ALDH1A1PDK2SCN5A
SCHEMBL19064772 0.89 SCN9A (0.59) SCN9AALDH1A1SCN5A
SCHEMBL17428307 0.89 SCN9A (0.59) SCN9AALDH1A1SCN5A
SCHEMBL17423327 0.88 SCN9A (0.52) SCN9AROCK2ALDH1A1PDK2SCN5A
SCHEMBL17428493 0.80 SCN9A (0.51) SCN9ASCN5A
SCHEMBL17428497 0.79 SCN9A (0.48) SCN9AALDH1A1
SCHEMBL21075107 0.79 ROCK2 (0.46) SCN9AROCK2ALDH1A1PDK2AVPR2
SCHEMBL21075496 0.79 SCN9A (0.46) SCN9AALDH1A1PDK2
SCHEMBL17423354 0.79 SCN9A (0.54) SCN9ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 — — US disclosed
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-03-18 — — US disclosed
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 — — EP disclosed
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 — — US disclosed
US-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 — — US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 — — US disclosed
WO-2016007534-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 — — WO 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 (5 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 SCN9A 2337/4885ROCK2 1043/4885ALDH1A1 1155/4885
US-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 SCN9A 2337/4885ROCK2 1043/4885ALDH1A1 1155/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 SCN9A 2337/4885ROCK2 1043/4885ALDH1A1 1155/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 SCN9A 2337/4885ROCK2 1043/4885ALDH1A1 1155/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 SCN9A 2337/4885ROCK2 1043/4885ALDH1A1 1155/4885

“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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