SCHEMBL17486013

SCHEMBL17486013

CC(=O)c1cc(C)ccc1Oc1ccc(-c2cccc([C@H]3COC(C)(C)O3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.40
KMT2A Q03164 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
SRC P12931 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL17486003 0.88 SCN9A (0.54) SCN9A
SCHEMBL17473883 0.82 SCN9A (0.63) SCN9A
SCHEMBL16129844 0.82 SCN9A (0.63) SCN9A
SCHEMBL17473873 0.81 SCN9A (0.43) SCN9A
SCHEMBL17473874 0.81 SCN9A (0.43) SCN9A
SCHEMBL16130052 0.81 SCN9A (0.39) SCN9A
SCHEMBL17473854 0.81 SCN9A (0.52) SCN9A
SCHEMBL17473857 0.77 SCN9A (0.47) SCN9A
SCHEMBL17473859 0.77 SCN9A (0.47) SCN9A
SCHEMBL16129979 0.75 SCN9A (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005768-B2 Carboxamide derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-06-26 US disclosed
US-20170096421-A1 Carboxamide Derivatives and Use Thereof PURDUE PHARMA L.P. 2017-04-06 US disclosed
US-9493449-B2 Carboxamide derivatives and use thereof PURDUE PHARMA L.P. (US) 2016-11-15 US disclosed
US-20160031873-A1 Carboxamide Derivatives and Use Thereof PURDUE PHARMA L.P. 2016-02-04 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-10005768-B2 Carboxamide derivatives and use thereof TRPV1, CACNA1A, SCN10A SCN9A 70/4885KMT2A 1142/4885DDB1 4821/4885
US-20160031873-A1 Carboxamide Derivatives and Use Thereof TRPV1, CACNA1A, SCN10A SCN9A 79/4885KMT2A 956/4885DDB1 4828/4885
US-20170096421-A1 Carboxamide Derivatives and Use Thereof TRPV1, CACNA1A, SCN10A SCN9A 70/4885KMT2A 1142/4885DDB1 4821/4885

“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.