SCHEMBL2302202

SCHEMBL2302202

CC(C)(C)OC(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.56
LIPE Q05469 1/20 0.55
USP30 Q70CQ3 1/20 0.54
PIK3CD O00329 2/20 0.51
CHEK2 O96017 1/20 0.46
ABHD6 Q9BV23 1/20 0.46
EPHX2 P34913 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45

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
SCHEMBL2951108 0.93 GPR119 (0.63) GPR119LIPEUSP30CHEK2EPHX2
SCHEMBL29981348 0.88 GPR119 (0.58) GPR119LIPECHEK2EPHX2ALDH1A1
SCHEMBL23410126 0.88 GPR119 (0.58) GPR119LIPECHEK2EPHX2ALDH1A1
SCHEMBL23632967 0.88 USP30 (0.57) GPR119LIPEUSP30PIK3CDCHEK2
SCHEMBL3077366 0.88 USP30 (0.57) GPR119LIPEUSP30PIK3CDCHEK2
SCHEMBL23632146 0.88 USP30 (0.57) GPR119LIPEUSP30PIK3CDCHEK2
SCHEMBL3377761 0.88 GPR119 (0.57) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL19838626 0.88 GPR119 (0.57) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL6189661 0.86 GPR119 (0.58) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL20179924 0.86 GPR119 (0.58) GPR119USP30PIK3CDCHEK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 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 (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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I GPR119 1331/4885LIPE 4493/4885USP30 3717/4885
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 GPR119 926/4885LIPE 903/4885USP30 3596/4885

“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.