SCHEMBL389897

SCHEMBL389897

Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2ccccc2Br)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
OPRM1 P35372 1/20 0.75
OPRK1 P41145 1/20 0.75
DPP8 Q6V1X1 1/20 0.67

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
SCHEMBL389898 1.00 DPP4 (1.00) DPP4OPRM1OPRK1DPP8
SCHEMBL7712047 0.88 DPP4 (0.79) DPP4OPRM1OPRK1DPP8
SCHEMBL8207574 0.88 DPP4 (0.82) DPP4OPRM1OPRK1DPP8
SCHEMBL8237899 0.88 DPP4 (0.78) DPP4OPRM1OPRK1DPP8
SCHEMBL389715 0.87 DPP4 (1.00) DPP4OPRM1OPRK1DPP8
SCHEMBL389714 0.87 DPP4 (1.00) DPP4OPRM1OPRK1DPP8
SCHEMBL27810764 0.86 DPP4 (0.75) DPP4OPRM1OPRK1DPP8
Alogliptin SCHEMBL121028 0.86 DPP4 (1.00) DPP4OPRM1OPRK1DPP8
Alogliptin SCHEMBL29352995 0.86 DPP4 (1.00) DPP4OPRM1OPRK1DPP8
Alogliptin SCHEMBL17036596 0.86 DPP4 (1.00) DPP4OPRM1OPRK1DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329900-B2 Immunosuppressants; autoimmune disease; antiinflammatory agents; multiple sclerosis; rheumatic diseases; antiarthritic agents; aids; preparing, for example, 2-{6-[3-Amino-piperidin-1-yl]-3-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl}-benzonitrile TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US claimed
US-8288539-B2 Immunosuppressants; autoimmune disease; antiinflammatory agents; multiple sclerosis; rheumatic diseases; antiarthritic agents; aids; for example, 2-{6-[3-Amino-piperidin-1-yl]-3-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl}-benzonitrile TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US claimed
US-8173663-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-08 US claimed
US-20090012059-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FENG JUN 2009-01-08 US claimed
EP-1586571-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP claimed
US-20080108807-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FENG JUN 2008-05-08 US claimed
US-20080108808-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FENG JUN 2008-05-08 US claimed
US-20050261271-A1 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. 2005-11-24 US claimed
EP-1586571-A1 Dipeptidyl peptidase inhibitors Takeda San Diego, Inc. (US) 2005-10-19 EP claimed
WO-2005095381-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-13 WO claimed
CN-102079743-B Dipeptidyl peptidase inhibitors 武田药品工业株式会社 2020-08-25 CN disclosed
CN-102134231-B Dipeptidyl peptidase inhibitors 武田药品工业株式会社 2020-08-04 CN disclosed
CN-102134229-B Dipeptidyl peptidase inhibitors 武田药品工业株式会社 2020-08-04 CN disclosed
US-8329900-B2 Immunosuppressants; autoimmune disease; antiinflammatory agents; multiple sclerosis; rheumatic diseases; antiarthritic agents; aids; preparing, for example, 2-{6-[3-Amino-piperidin-1-yl]-3-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl}-benzonitrile TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8288539-B2 Immunosuppressants; autoimmune disease; antiinflammatory agents; multiple sclerosis; rheumatic diseases; antiarthritic agents; aids; for example, 2-{6-[3-Amino-piperidin-1-yl]-3-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl}-benzonitrile TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20080003283-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY, INC. (JP) 2008-01-03 US disclosed
WO-2007035629-A2 PROCESS FOR THE PREPARATION OF PYRIMIDINEDIONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 WO disclosed
US-20050261271-A1 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. 2005-11-24 US disclosed
EP-1586571-A1 Dipeptidyl peptidase inhibitors Takeda San Diego, Inc. (US) 2005-10-19 EP disclosed
WO-2005095381-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-13 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 (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-20080108807-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP9 DPP4 1/4885OPRM1 2340/4885OPRK1 3648/4885
US-20080003283-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP7, DPP3 DPP4 1/4885OPRM1 3481/4885OPRK1 2838/4885
US-20090012059-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP9 DPP4 1/4885OPRM1 2340/4885OPRK1 3648/4885
US-20050261271-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP9 DPP4 1/4885OPRM1 2340/4885OPRK1 3648/4885
US-20080108808-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP9 DPP4 1/4885OPRM1 2340/4885OPRK1 3648/4885

“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.