SCHEMBL1091053

SCHEMBL1091053

CC(C)c1noc(CO)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
GPR119 Q8TDV5 2/20 0.39
HSD11B1 P28845 1/20 0.38
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7655000 0.80 HSD11B1 (0.36) GPR119HSD11B1MAOAMAOBMEN1
SCHEMBL7602702 0.78 KDM4E (0.35) GPR119HSD11B1MAOAMAOBMEN1
SCHEMBL443319 0.78 HSD11B1 (0.38) NOTUMGPR119HSD11B1MAOAMAOB
SCHEMBL15110040 0.78 HSD11B1 (0.35) GPR119HSD11B1MAOAMAOBMEN1
SCHEMBL23791454 0.78 HSD11B1 (0.35) GPR119HSD11B1MAOAMAOBMEN1
SCHEMBL10094578 0.77 NPC1 (0.41) GPR119HSD11B1MAOAMAOBMEN1
SCHEMBL15932001 0.75 HSD11B1 (0.36) GPR119HSD11B1MEN1KMT2A
SCHEMBL1771274 0.75 HSD11B1 (0.34) GPR119HSD11B1
SCHEMBL10094574 0.75 HSD11B1 (0.45) GPR119HSD11B1
SCHEMBL10094575 0.75 POLB (0.38) GPR119HSD11B1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9820954-B2 Quantitative peri-orbital application of ophthalmology drugs JENIVISION INC. (US) 2017-11-21 US disclosed
US-9820954-B2 Quantitative peri-orbital application of ophthalmology drugs JENIVISION INC. (US) 2017-11-21 US disclosed
WO-2017031137-A1 QUANTITATIVE PERI-ORBITAL APPLICATION OF OPHTHALMOLOGY DRUGS JENIVISION INC. (US) 2017-02-23 WO disclosed
US-20170049734-A1 QUANTITATIVE PERI-ORBITAL APPLICATION OF OPHTHALMOLOGY DRUGS JENIVISION INC. 2017-02-23 US disclosed
US-20170049734-A1 QUANTITATIVE PERI-ORBITAL APPLICATION OF OPHTHALMOLOGY DRUGS JENIVISION INC. 2017-02-23 US disclosed
US-9156830-B2 Heterocyclic compounds SHIONOGI & CO., LTD. (JP) 2015-10-13 US disclosed
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 US disclosed
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 US disclosed
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 US disclosed
US-20140249159-A1 HETEROCYCLIC COMPOUNDS PURDUE PHARMA L.P. 2014-09-04 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
EP-2523954-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD Oss B.V. (NL) 2012-11-21 EP disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 US disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 US disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-8153626-B2 Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-04-10 US disclosed
WO-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 WO disclosed
WO-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 WO disclosed
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS MERCK SHARP & DOHME LLC 2010-12-16 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 (5 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-20170049734-A1 QUANTITATIVE PERI-ORBITAL APPLICATION OF OPHTHALMOLOGY DRUGS PTGIR, QDPR, PDE3A NOTUM 3226/4885GPR119 1798/4885HSD11B1 1402/4885
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSZ NOTUM 1383/4885GPR119 1194/4885HSD11B1 3066/4885
US-20140249159-A1 HETEROCYCLIC COMPOUNDS HRH2, UGT1A3, UGT1A1 NOTUM 4629/4885GPR119 470/4885HSD11B1 1324/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 NOTUM 2760/4885GPR119 188/4885HSD11B1 432/4885
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS BRS3, BRSK1, BRSK2 NOTUM 2270/4885GPR119 4/4885HSD11B1 2371/4885

“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.