SCHEMBL15599286

SCHEMBL15599286

Cc1cnc(OCC(C)C)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.45
SCN5A Q14524 8/20 0.45
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
SSTR4 P31391 1/20 0.38
AAK1 Q2M2I8 2/20 0.38

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
SCHEMBL15599216 0.84 SCN9A (0.44) SCN9ASCN5ACYP3A4CYP2C9SSTR4
SCHEMBL10324676 0.84 SCN9A (0.44) SCN9ASCN5ACYP3A4CYP2C9
SCHEMBL17248008 0.81 NOS3 (0.41) SCN9ASCN5ASSTR4AAK1
SCHEMBL365208 0.81 SCN9A (0.47) SCN9ASCN5ACYP3A4CYP2C9
SCHEMBL16858566 0.81 SCN9A (0.44) SCN9ASCN5ACYP3A4CYP2C9
SCHEMBL17244885 0.81 SCN9A (0.44) SCN9ASCN5ACYP3A4CYP2C9
SCHEMBL12037978 0.79 SLC13A5 (0.40) CYP3A4CYP2C9SSTR4
SCHEMBL15599250 0.79 SCN9A (0.43) SCN9ASCN5ACYP3A4CYP2C9
SCHEMBL19075622 0.78 SCN9A (0.43) SCN9ASCN5ACYP3A4CYP2C9AAK1
SCHEMBL16082402 0.78 SCN9A (0.44) SCN9ASCN5ACYP3A4CYP2C9

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
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
EP-2970156-B1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH INC (US) 2018-07-25 EP disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US disclosed
WO-2017091592-A1 SUBSTITUTED BENZAMIDES USEFUL AS SODIUM CHANNEL BLOCKERS GENENTECH, INC. (US) 2017-06-01 WO disclosed
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed
WO-2014144545-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-18 WO disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 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 (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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 SCN9A 2337/4885SCN5A 1598/4885CYP3A4 594/4885

“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.