SCHEMBL8650928

SCHEMBL8650928

N#Cc1ccc(C[C@H](N)C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.52
FAP Q12884 2/20 0.52
DPP8 Q6V1X1 2/20 0.52
DPP9 Q86TI2 2/20 0.52
DPP7 Q9UHL4 2/20 0.52
EPHX1 P07099 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
TPH1 P17752 1/20 0.46
IDO1 P14902 2/20 0.46
SLC7A5 Q01650 2/20 0.44
GPR142 Q7Z601 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
HTT P42858 1/20 0.44
CTSC P53634 3/20 0.43
KCNH2 Q12809 2/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL8385357 1.00 DPP4 (0.52) DPP4FAPDPP8DPP9DPP7
SCHEMBL10266644 1.00 DPP4 (0.52) DPP4FAPDPP8DPP9DPP7
SCHEMBL289815 0.95 DPP4 (0.57) DPP4FAPDPP8DPP9DPP7
SCHEMBL289816 0.95 DPP4 (0.57) DPP4FAPDPP8DPP9DPP7
SCHEMBL43593 0.86 SLC7A5 (0.62) DPP4FAPDPP8DPP9DPP7
SCHEMBL838534 0.86 SLC7A5 (0.62) DPP4FAPDPP8DPP9DPP7
SCHEMBL684432 0.86 DPP4 (0.52) DPP4FAPDPP8DPP9DPP7
SCHEMBL43594 0.86 SLC7A5 (0.62) DPP4FAPDPP8DPP9DPP7
SCHEMBL14899604 0.86 DPP4 (0.52) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL9710930 0.84 SLC7A5 (0.61) DPP4FAPDPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487081-B1 Silver halide color photographic materials FUJI PHOTO FILM CO LTD (JP) 1998-09-09 EP claimed
US-5627283-A ANTITHROMBIN COMPOUNDS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1997-05-06 US claimed
EP-0236163-B1 DERIVATIVES OF N-ALPHA-SUBSTITUTED N-ALPHA-ARYLSULFONYLAMINOACYL P-AMIDINOPHENYLALANINAMIDES, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND THEIR INTERMEDIATES SANOFI (FR) 1990-10-03 EP claimed
EP-0236164-B1 DERIVATIVES OF N-ALPHA-ARYLSOLFONYLAMINOACYL P-AMIDINO-PHENYLALANINAMIDES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND THEIR INTERMEDIATES SANOFI (FR) 1990-09-12 EP claimed
EP-2758398-B1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-8999975-B2 Substituted N- [1-cyano-2- (phenyl) ethyl] -2-azabicyclo [2.2.1] heptane-3-carboxamide inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 US disclosed
US-8999975-B2 Substituted N- [1-cyano-2- (phenyl) ethyl] -2-azabicyclo [2.2.1] heptane-3-carboxamide inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 US disclosed
US-20130172327-A1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-20130172327-A1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
WO-2013041497-A1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-28 WO disclosed
US-5714497-A EXHIBIT AFFINITY FOR BIOLOGICAL RECEPTORS OF NEUROPEPTIDE Y SANOFI (FR) 1998-02-03 US disclosed
US-5674890-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS; PSYCHOLOGICAL DISORDERS; ANTAGONISTS OF PEPTIDE Y SANOFI (FR) 1997-10-07 US disclosed
US-5506258-A EXHIBIT AFFINITY FOR THE BIOLOGICAL RECEPTORS OF NEUROPEPTIDES Y, WHICH ARE PRESENT IN THE CENTRAL AND PERIPHERAL NERVOUS SYSTEMS ELF SANOFI (FR) 1996-04-09 US disclosed
US-5457114-A Antithrombin; antithrombotic, enzyme resistance, tolerability BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed
EP-0614911-A1 Compounds having a sulfonamide and an amidinegroup, process for preparation and pharmaceutical compositions comprising them SANOFI (FR) 1994-09-14 EP disclosed
US-4977168-A Derivatives of the N α-arylsulphonylaminoacyl-p-amidinophenyl-alaninamides, and their use as medicaments SANOFI (FR) 1990-12-11 US disclosed
EP-0236163-B1 DERIVATIVES OF N-ALPHA-SUBSTITUTED N-ALPHA-ARYLSULFONYLAMINOACYL P-AMIDINOPHENYLALANINAMIDES, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND THEIR INTERMEDIATES SANOFI (FR) 1990-10-03 EP disclosed
EP-0236163-B1 DERIVATIVES OF N-ALPHA-SUBSTITUTED N-ALPHA-ARYLSULFONYLAMINOACYL P-AMIDINOPHENYLALANINAMIDES, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND THEIR INTERMEDIATES SANOFI (FR) 1990-10-03 EP disclosed
EP-0236164-B1 DERIVATIVES OF N-ALPHA-ARYLSOLFONYLAMINOACYL P-AMIDINO-PHENYLALANINAMIDES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND THEIR INTERMEDIATES SANOFI (FR) 1990-09-12 EP disclosed
US-4791102-A ANTICOAGULANTS SANOFI (FR) 1988-12-13 US 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-20130172327-A1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C CTSS, CTSB, CTSG DPP4 887/4885FAP 264/4885DPP8 410/4885

“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.