SCHEMBL1996958

SCHEMBL1996958

COc1ccccc1-c1ccc2c(c1CN)NCCN2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.46
HTR7 P34969 5/20 0.39
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CREBBP Q92793 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SIRT5 Q9NXA8 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MAPT P10636 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL2002773 0.82 DPP4 (0.43) DPP4HTR7
SCHEMBL2001399 0.79 DPP4 (0.42) DPP4HSD17B10ALDH1A1GAAKDM4E
SCHEMBL14369438 0.79 DPP4 (0.47) DPP4MAPT
SCHEMBL1995242 0.77 DPP4 (0.44) DPP4
SCHEMBL5158690 0.70 DPP4 (0.46) DPP4HSD17B10ALDH1A1GAACREBBP
SCHEMBL26109661 0.69 CA12 (0.41) HTR7HSD17B10ALDH1A1GAACREBBP
SCHEMBL6867119 0.69 TAAR1 (0.55) DPP4HTR7HSD17B10ALDH1A1GAA
SCHEMBL30597001 0.69 CA12 (0.41) HTR7HSD17B10ALDH1A1GAACREBBP
SCHEMBL5325810 0.69 DPP4 (0.45) DPP4HSD17B10ALDH1A1GAACREBBP
SCHEMBL3149462 0.67 DPP4 (0.57) DPP4HTR7HSD17B10ALDH1A1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US claimed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US claimed
WO-2007112347-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 WO claimed
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
WO-2007112347-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 WO disclosed
WO-2007112347-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 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 (1 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-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP3, DPP4, DPP7 DPP4 2/4885HTR7 1374/4885HSD17B10 533/4885

“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.