SCHEMBL938055

SCHEMBL938055

CC(C)(C)OC(=O)N1CCCC1COc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.50
DAGLA Q9Y4D2 1/20 0.50
KDM1A O60341 1/20 0.50
ALOX5AP P20292 3/20 0.48
FEN1 P39748 1/20 0.48
CASP3 P42574 1/20 0.48
GPR119 Q8TDV5 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47

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
SCHEMBL938053 1.00 ABHD6 (0.50) ABHD6DAGLAKDM1AALOX5APFEN1
SCHEMBL27936838 1.00 ABHD6 (0.50) ABHD6DAGLAKDM1AALOX5APFEN1
SCHEMBL4324219 0.96 LTA4H (0.48) ABHD6DAGLAKDM1AALOX5APGPR119
SCHEMBL4324225 0.96 LTA4H (0.48) ABHD6DAGLAKDM1AALOX5APGPR119
SCHEMBL4319616 0.91 ALOX5AP (0.50) ALOX5APFEN1GPR119CHRNB2CHRNA4
SCHEMBL4318335 0.91 GPR119 (0.49) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL4317028 0.91 ALOX5AP (0.50) ALOX5APFEN1GPR119CHRNB2CHRNA4
SCHEMBL4318329 0.91 GPR119 (0.49) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL4314700 0.91 PRMT5 (0.56) ALOX5APCHRNB2CHRNA4
SCHEMBL4314170 0.91 PRMT5 (0.56) ALOX5APCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111393375-A Nitrogen-substituted hexabasic aromatic heterocyclic ketone compound and pharmaceutical composition, preparation method and application thereof 中国药科大学 2020-07-10 CN disclosed
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
CN-103582482-A Pharmaceutically active disubstituted triazine derivatives LEAD DISCOVERY CENTER GMBH 2014-02-12 CN disclosed
US-8614209-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2013-12-24 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8329686-B2 Isatin analogues and uses therefor WASHINGTON UNIVERSITY (US) 2012-12-11 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
EP-2283004-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2011-02-16 EP disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 WO disclosed
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR WASHINGTON UNIVERSITY IN ST. LOUIS 2009-03-12 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
CN-1905868-A DPP-IV inhibitors GRAFFINITY PHARMACEUTICALS AG (CH) 2007-01-31 CN disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
US-6277871-B1 ANTICANCER AGENTS ABBOTT LABORATORIES 2001-08-21 US disclosed
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 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 (4 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 ABHD6 3466/4885DAGLA 1355/4885KDM1A 1301/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 ABHD6 537/4885DAGLA 1473/4885KDM1A 1710/4885
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR CASP7, CASP3, HASPIN ABHD6 410/4885DAGLA 1705/4885KDM1A 4675/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 ABHD6 537/4885DAGLA 1473/4885KDM1A 1710/4885

“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.