SCHEMBL5202966

SCHEMBL5202966

CC(C)(C)OC(=O)NC1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.53
DRD2 P14416 1/20 0.52
KCNA3 P22001 1/20 0.52
KDM4D Q6B0I6 5/20 0.51
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
JAK3 P52333 1/20 0.45
BTK Q06187 1/20 0.45
SUV39H2 Q9H5I1 1/20 0.45
GPR119 Q8TDV5 3/20 0.44
DPP4 P27487 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
RET P07949 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OGFRL1 Q5TC84 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
SCHEMBL8665014 0.93 CTSK (0.57) CTSKDRD2KCNA3KDM4DCKS1B
SCHEMBL7716013 0.85 HTR7 (0.50) CTSKDRD2KCNA3KDM4DGPR119
SCHEMBL32665409 0.85 ME3 (0.54) CTSKDRD2KCNA3CKS1BSKP1
SCHEMBL3130708 0.85 CKS1B (0.52) CTSKDRD2KCNA3CKS1BSKP1
SCHEMBL5216885 0.84 CHRM4 (0.53) CTSKDRD2KCNA3KDM4DCKS1B
SCHEMBL3108407 0.84 CNR1 (0.55) CTSKDRD2KCNA3CKS1BSKP1
SCHEMBL16682477 0.84 CKS1B (0.51) CTSKDRD2KCNA3CKS1BSKP1
SCHEMBL17830852 0.83 CKS1B (0.61) CTSKDRD2KCNA3CKS1BSKP1
SCHEMBL5221881 0.83 CTSK (0.48) CTSKDRD2KCNA3KDM4DCKS1B
SCHEMBL647174 0.83 CTSK (0.48) CTSKDRD2KCNA3KDM4DCKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399433-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP disclosed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 US disclosed
US-6867220-B2 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-15 US disclosed
US-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity SMITHKLINE BEECHAM CORPORATION 2004-12-02 US disclosed
EP-1399433-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-24 EP disclosed
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them SANOFI-AVENTIS (FR) 2003-02-27 US disclosed
WO-2003002553-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO disclosed
EP-1242083-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2002-09-25 EP disclosed
WO-2001043744-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 WO disclosed
US-5442064-A Anticoagulants, antiagglomerants DR. KARL THOMAE GMBH (DE) 1995-08-15 US disclosed
EP-0592949-A2 N-(aminocarbonyl)-piperidines/pepirazines as aggregation inhibiting agents Dr. Karl Thomae GmbH (DE) 1994-04-20 EP 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 (2 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-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity DPP4, DPP7, DPP3 CTSK 174/4885DRD2 3746/4885KCNA3 4745/4885
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them CNR1, CORO1C, CBR1 CTSK 2356/4885DRD2 83/4885KCNA3 471/4885

“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.