SCHEMBL10220934

SCHEMBL10220934

COC(=O)CN(C(=O)/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 12/20 0.61
▸ NPC1 O15118 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ GLA P06280 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL10220943 0.91 TRPM8 (0.51) TRPM8NPC1L3MBTL1ALDH1A1TDP1
SCHEMBL515901 0.89 TRPM8 (0.54) TRPM8NPC1L3MBTL1ALDH1A1
SCHEMBL515902 0.89 TRPM8 (0.54) TRPM8NPC1L3MBTL1ALDH1A1
SCHEMBL8171082 0.85 CYP3A4 (0.46) TRPM8ALDH1A1GLA
SCHEMBL10220933 0.83 TRPM8 (0.69) TRPM8NPC1L3MBTL1ALDH1A1HPGD
SCHEMBL10579311 0.82 NPC1 (0.54) TRPM8NPC1L3MBTL1ALDH1A1GLA
SCHEMBL10579307 0.82 NPC1 (0.54) TRPM8NPC1L3MBTL1ALDH1A1GLA
SCHEMBL20314798 0.81 GSTO1 (0.58) TRPM8ALDH1A1GLA
SCHEMBL8439016 0.80 ALDH1A1 (0.47) L3MBTL1ALDH1A1HPGDGLA
SCHEMBL5353769 0.77 ALDH1A1 (0.51) L3MBTL1ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624022-B2 Substituted aniline derivatives UCB PHARMA, S.A. (BE) 2014-01-07 — — US disclosed
US-20120029188-A1 Substituted Aniline Derivatives UCB PHARMA S.A. (BE) 2012-02-02 — — US disclosed
US-8071582-B2 Substituted aniline derivatives UCB PHARMA S.A. (BE) 2011-12-06 — — US disclosed
US-20110014271-A1 Substituted Aniline Derivatives UCB PHARMA S.A. (BE) 2011-01-20 — — US disclosed
US-7678785-B2 Substituted aniline derivatives UCB PHARMA S.A. (BE) 2010-03-16 — — US disclosed
US-20080045497-A1 SUBSTITUTED ANILINE DERIVATIVES UCB PHARMA S.A. (BE) 2008-02-21 — — 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-20120029188-A1 Substituted Aniline Derivatives NAT1, DPM1, IL4I1 TRPM8 4470/4885NPC1 599/4885L3MBTL1 1325/4885
US-20080045497-A1 SUBSTITUTED ANILINE DERIVATIVES DPM1, ERG28, IL4I1 TRPM8 4349/4885NPC1 1324/4885L3MBTL1 2070/4885
US-20110014271-A1 Substituted Aniline Derivatives NAT1, DPM1, IL4I1 TRPM8 4470/4885NPC1 599/4885L3MBTL1 1325/4885

“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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