SCHEMBL974153

SCHEMBL974153

CS(=O)(=O)N1CCC(O)(c2ccc(Br)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
OPRM1 P35372 3/20 0.49
OPRK1 P41145 3/20 0.49
OPRD1 P41143 2/20 0.49
OPRL1 P41146 2/20 0.49
CCR1 P32246 4/20 0.48
AURKA O14965 1/20 0.48
CDK1 P06493 1/20 0.48
NEK2 P51955 1/20 0.48
PLK1 P53350 1/20 0.48
NEK7 Q8TDX7 1/20 0.48
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 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
SCHEMBL6096089 0.83 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL12987942 0.80 KMT2A (0.54) AURKACDK1NEK2PLK1NEK7
SCHEMBL13195341 0.79 AURKA (0.44) CA12CA1CA2CA7CA9
SCHEMBL578244 0.78 OPRM1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL12987945 0.77 HSD11B1 (0.43) OPRM1AURKACDK1NEK2PLK1
SCHEMBL29096976 0.77 CYP11B2 (0.45) OPRM1OPRK1OPRD1OPRL1AURKA
SCHEMBL14282269 0.76 LMNA (0.62) CA12CA1CA2CA7CA9
SCHEMBL578234 0.75 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL978469 0.75 LMNA (0.44) CCR1MAPTMEN1ALDH1A1LMNA
SCHEMBL16936710 0.75 OPRM1 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
US-8530657-B2 Substituted adamantanes and their therapeutic application SANOFI (FR) 2013-09-10 US disclosed
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-09-27 US disclosed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 US disclosed
US-8207344-B2 GPR119 agonists ELI LILLY AND COMPANY (US) 2012-06-26 US disclosed
US-8207344-B2 GPR119 agonists ELI LILLY AND COMPANY (US) 2012-06-26 US disclosed
EP-2454251-A1 GPR119 AGONISTS Eli Lilly and Company (US) 2012-05-23 EP disclosed
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 CN disclosed
WO-2011008663-A1 GPR119 AGONISTS ELI LILLY AND COMPANY (US) 2011-01-20 WO disclosed
US-20110015199-A1 GPR119 Agonists ELI LILLY AND COMPANY (US) 2011-01-20 US disclosed
US-20110015199-A1 GPR119 Agonists ELI LILLY AND COMPANY (US) 2011-01-20 US disclosed
US-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 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 (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-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION BHMT, UGDH, NNMT CA12 4699/4885CA1 4181/4885CA2 4237/4885
US-20110015199-A1 GPR119 Agonists GPR119, GLP1R, GCGR CA12 4610/4885CA1 4831/4885CA2 3600/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT CA12 4254/4885CA1 1941/4885CA2 2711/4885

“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.