Sugi Predict

Sugi Predict / Compounds / SCHEMBL1591952

SCHEMBL1591952

SCHEMBL1591952

O=C(O)N(Cc1ccccc1)C1Cc2ccc(Br)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.42
▸ UBE2M P61081 3/20 0.39
▸ DCUN1D1 Q96GG9 3/20 0.39
▸ AGER Q15109 3/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ PNMT P11086 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ TMEM97 Q5BJF2 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ FAAH O00519 1/20 0.37

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
SCHEMBL1591950 1.00 CTSD (0.42) CTSDUBE2MDCUN1D1AGERMTNR1A
SCHEMBL1590874 0.83 CTSD (0.42) CTSDAGERMTNR1ACHRM2CHRM3
SCHEMBL1590872 0.83 CTSD (0.42) CTSDAGERMTNR1ACHRM2CHRM3
SCHEMBL1592052 0.83 CTSD (0.42) CTSDAGERMTNR1ACHRM2CHRM3
SCHEMBL20722897 0.82 LTB4R (0.44) CTSDUBE2MDCUN1D1AGER
SCHEMBL3782766 0.78 CCR5 (0.45) TMEM97
SCHEMBL3782772 0.78 CCR5 (0.45) TMEM97
SCHEMBL17352482 0.76 CTSD (0.50) CTSDAGERMTNR1ACHRM2CHRM3
SCHEMBL1726247 0.75 DRD2 (0.53) FAAH
SCHEMBL22534359 0.75 PNMT (0.41) PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297110-B1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS MERCK SHARP & DOHME (NL) 2015-05-20 — — EP disclosed
US-8536214-B2 Indane derivatives as AMPA receptor modulators N.V. ORGANON (NL) 2013-09-17 — — US disclosed
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2011-04-21 — — US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 — — US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 — — US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 — — US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 — — EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 — — 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 CTSD 2808/4885UBE2M 4407/4885DCUN1D1 1961/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 CTSD 2513/4885UBE2M 4405/4885DCUN1D1 1774/4885
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS GRIK5, GRIN3A, GRIK2 CTSD 4681/4885UBE2M 3987/4885DCUN1D1 3592/4885

“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.