SCHEMBL19083708

SCHEMBL19083708

O=C(O)[C@@H]1CCCN1C(=O)c1ccc(OCCCC2CC3CCCC(C2)C3)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LOXL2 Q9Y4K0 2/20 0.40
▸ GYS1 P13807 5/20 0.39
▸ CA2 P00918 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ DGAT1 O75907 1/20 0.37
▸ SPHK1 Q9NYA1 2/20 0.37
▸ SPHK2 Q9NRA0 1/20 0.36

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
SCHEMBL17428307 0.81 SCN9A (0.59) L3MBTL1ALDH1A1NPSR1LOXL2GYS1
SCHEMBL19064772 0.81 SCN9A (0.59) L3MBTL1ALDH1A1NPSR1LOXL2GYS1
SCHEMBL17428497 0.79 SCN9A (0.48) L3MBTL1ALDH1A1NPSR1LOXL2GYS1
SCHEMBL21075496 0.77 SCN9A (0.46) L3MBTL1ALDH1A1NPSR1LOXL2GYS1
SCHEMBL19389012 0.76 SCN9A (0.64) SCN9A
SCHEMBL20307085 0.75 L3MBTL1 (0.43) L3MBTL1ALDH1A1NPSR1GYS1SCN9A
SCHEMBL19083706 0.73 SCN9A (0.46) SCN9A
SCHEMBL20307084 0.71 SCN9A (0.48) SCN9A
SCHEMBL21075202 0.71 SCN9A (0.55) ALDH1A1SCN9A
SCHEMBL17427703 0.71 SCN9A (0.55) ALDH1A1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 L3MBTL1 3827/4885ALDH1A1 1155/4885NPSR1 367/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 L3MBTL1 3827/4885ALDH1A1 1155/4885NPSR1 367/4885

“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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