SCHEMBL488953

SCHEMBL488953

O=C([C@H]1CCCN1)N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.64
DPP8 Q6V1X1 4/20 0.64
DPP9 Q86TI2 4/20 0.64
FAP Q12884 1/20 0.53
DPP7 Q9UHL4 1/20 0.53
HPGD P15428 1/20 0.48
PARP1 P09874 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
NOS2 P35228 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TGM2 P21980 1/20 0.41
HDAC2 Q92769 1/20 0.41
ARG1 P05089 1/20 0.41
ARG2 P78540 1/20 0.41

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
SCHEMBL1383434 1.00 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL488954 1.00 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL5413834 0.98 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL10326191 0.98 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL3331450 0.98 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL3335449 0.98 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL14548972 0.98 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL3332858 0.96 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL3332865 0.96 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL6586024 0.94 DPP4 (0.57) DPP4DPP8DPP9FAPDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4806628-B2 2011-11-02 JP claimed
EP-1620091-A2 INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2006-02-01 EP claimed
WO-2004098591-A2 INHIBITORS OF GLUTAMINYL CYCLASE AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES PROBIODRUG AG (DE) 2004-11-18 WO claimed
WO-2017017630-A1 NOVEL BETULINIC SUBSTITUTED AMIDE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-02-02 WO disclosed
WO-2017017630-A1 NOVEL BETULINIC SUBSTITUTED AMIDE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-02-02 WO disclosed
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
EP-1603570-B9 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-10-23 EP disclosed
EP-1603570-B1 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-01-23 EP disclosed
EP-2476667-A2 Aminoheteroaryl compounds as protein kinase inhibitors Sugen, Inc. (US) 2012-07-18 EP disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 WO disclosed
EP-1228061-A1 DIPEPTIDYL PEPTIDASE IV INHIBITORS AND METHODS OF MAKING AND USING DIPEPTIDYL PEPTIDASE IV INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-08-07 EP disclosed
US-20020061839-A1 Serine peptidase modulators SCHARPE SIMON LODEWIJK (BE) 2002-05-23 US disclosed
WO-2001034594-A1 DIPEPTIDYL PEPTIDASE IV INHIBITORS AND METHODS OF MAKING AND USING DIPEPTIDYL PEPTIDASE IV INHIBITORS GUILFORD PHARMACEUTICALS, INC. (US) 2001-05-17 WO disclosed
EP-1062222-A1 SERINE PEPTIDASE MODULATORS Fondatech Benelux N.V. (BE) 2000-12-27 EP disclosed
WO-1999046272-A1 SERINE PEPTIDASE MODULATORS FONDATECH BENELUX N.V. (BE) 1999-09-16 WO disclosed
US-4983623-A Prolyl endopeptidase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-08 US disclosed
EP-0320753-A2 Derivatives of cyclic aminoacids, their preparation, compounds containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-21 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-20020061839-A1 Serine peptidase modulators FAP, CTSC, DPP4 DPP4 3/4885DPP8 9/4885DPP9 8/4885
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 DPP4 2219/4885DPP8 1770/4885DPP9 1301/4885

“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.