SCHEMBL386734

SCHEMBL386734

Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2c(F)ccc(F)c2Cl)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP8 Q6V1X1 1/20 0.68
OPRM1 P35372 1/20 0.59
OPRK1 P41145 1/20 0.59
CYP3A4 P08684 1/20 0.47
KCNH2 Q12809 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
SCHEMBL386735 1.00 DPP4 (1.00) DPP4DPP8OPRM1OPRK1CYP3A4
SCHEMBL8242973 0.87 DPP4 (0.78) DPP4DPP8OPRM1OPRK1
SCHEMBL27810764 0.82 DPP4 (0.75) DPP4DPP8OPRM1OPRK1CYP3A4
SCHEMBL390403 0.81 DPP4 (1.00) DPP4DPP8OPRM1OPRK1CYP3A4
SCHEMBL390124 0.81 DPP4 (1.00) DPP4DPP8OPRM1OPRK1CYP3A4
SCHEMBL390125 0.81 DPP4 (1.00) DPP4DPP8OPRM1OPRK1CYP3A4
SCHEMBL2087382 0.81 DPP4 (1.00) DPP4DPP8OPRM1OPRK1CYP3A4
SCHEMBL391985 0.81 DPP4 (1.00) DPP4DPP8OPRM1OPRK1CYP3A4
SCHEMBL391986 0.81 DPP4 (1.00) DPP4DPP8OPRM1OPRK1CYP3A4
SCHEMBL14142701 0.78 DPP4 (0.80) DPP4DPP8OPRM1OPRK1CYP3A4

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 37 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
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-8222411-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-17 US disclosed
US-8188275-B2 hydrolase enzyme inhibors such as 2-(6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzonitrile TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-29 US disclosed
US-8173663-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-08 US disclosed
US-20080161562-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FENG JUN 2008-07-03 US disclosed
US-20080108807-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FENG JUN 2008-05-08 US disclosed
US-20080108808-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FENG JUN 2008-05-08 US disclosed
US-20080003283-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY, INC. (JP) 2008-01-03 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 1/4885DPP8 5/4885OPRM1 2340/4885
US-20080003283-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP7, DPP3 DPP4 1/4885DPP8 5/4885OPRM1 3481/4885
US-20090012059-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP9 DPP4 1/4885DPP8 5/4885OPRM1 2340/4885
US-20080161562-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP9 DPP4 1/4885DPP8 5/4885OPRM1 2340/4885
US-20050261271-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP9 DPP4 1/4885DPP8 5/4885OPRM1 2340/4885
US-20080108808-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP9 DPP4 1/4885DPP8 5/4885OPRM1 2340/4885

“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.