SCHEMBL389451

SCHEMBL389451

NC1CCCN(c2cc(=O)n(Cc3cc(F)ccc3Br)c(=O)n2Cc2cc(F)ccc2Br)C1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.83
CYP3A4 P08684 3/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL391387 1.00 DPP4 (0.83) DPP4CYP3A4CYP1A2CYP2D6
SCHEMBL389715 0.91 DPP4 (1.00) DPP4CYP3A4CYP1A2CYP2D6
SCHEMBL389714 0.91 DPP4 (1.00) DPP4CYP3A4CYP1A2CYP2D6
SCHEMBL8228913 0.88 DPP4 (0.70) DPP4CYP3A4CYP1A2CYP2D6
SCHEMBL6361312 0.88 DPP4 (0.65) DPP4CYP3A4CYP1A2CYP2D6
SCHEMBL14142701 0.80 DPP4 (0.80) DPP4CYP3A4CYP1A2CYP2D6
SCHEMBL390403 0.79 DPP4 (1.00) DPP4CYP3A4CYP1A2CYP2D6
SCHEMBL2087382 0.79 DPP4 (1.00) DPP4CYP3A4CYP1A2CYP2D6
SCHEMBL8229215 0.79 DPP4 (0.79) DPP4CYP3A4CYP1A2CYP2D6
SCHEMBL27964053 0.78 DPP4 (0.77) DPP4CYP3A4CYP1A2CYP2D6

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 45 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
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-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO 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 1/4885CYP3A4 90/4885CYP1A2 2468/4885
US-20080003283-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP7, DPP3 DPP4 1/4885CYP3A4 144/4885CYP1A2 1376/4885
US-20090012059-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP9 DPP4 1/4885CYP3A4 90/4885CYP1A2 2468/4885
US-20050261271-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP9 DPP4 1/4885CYP3A4 90/4885CYP1A2 2468/4885
US-20080108808-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP9 DPP4 1/4885CYP3A4 90/4885CYP1A2 2468/4885

“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.