SCHEMBL6060265

SCHEMBL6060265

CC(=N)NCCCC[C@H](N)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.46
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
RRM1 P23921 1/20 0.39
NOS2 P35228 6/20 0.38
NOS1 P29475 5/20 0.38
NOS3 P29474 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
BLM P54132 1/20 0.37
PAOX Q6QHF9 2/20 0.36
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
OTC P00480 1/20 0.35

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
SCHEMBL18594774 0.95 DPP7 (0.43) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL25446446 0.95 DPP7 (0.43) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL8067808 0.87 DPP7 (0.47) DPP7GNAI3GNAO1GNAI1RRM1
L-Nil SCHEMBL31540966 0.86 ARG2 (0.50) DPP7GNAI3GNAO1GNAI1NOS2
L-Nil SCHEMBL322091 0.86 ARG2 (0.50) DPP7GNAI3GNAO1GNAI1NOS2
L-Nil SCHEMBL934874 0.86 ARG2 (0.50) DPP7GNAI3GNAO1GNAI1NOS2
SCHEMBL16285441 0.85 KDM4E (0.56) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL21467496 0.85 DPP7 (0.44) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL5156455 0.85 DPP7 (0.44) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL8065968 0.84 NOS2 (0.50) DPP7GNAI3GNAO1GNAI1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012098-B2 Inhibitors of inducible nitric oxide synthase for chemoprevention and treatment of cancers PHARMACIA CORPORATION (US) 2006-03-14 US disclosed
EP-1463495-A4 AGENTS AND METHODS FOR TREATMENT OF CANCER PHARMACIA CORP (US) 2005-11-16 EP disclosed
EP-1528921-A2 METHODS FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL CONDITIONS Pharmacia Corporation (US) 2005-05-11 EP disclosed
EP-1505972-A2 A SELECTIVE INOS INHIBITOR AND A PDE INHIBITOR IN COMBINATION FOR THE TREATMENT OF RESPIRATORY DISEASES Pharmacia Corporation (US) 2005-02-16 EP disclosed
EP-1506040-A2 SELECTIVE INOS INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES AND CONDITIONS Pharmacia Corporation (US) 2005-02-16 EP disclosed
EP-1463495-A2 AGENTS AND METHODS FOR TREATMENT OF CANCER Pharmacia Corporation (US) 2004-10-06 EP disclosed
US-20040127569-A1 Methods for treatment and prevention of gastrointestinal conditions PHARMACIA CORPORATION 2004-07-01 US disclosed
US-20040087653-A1 Methods for the treatment of respiratory diseases and conditions with a selective iNOS inhibitor and a PDE inhibitor and compositions therefor MANNING PAMELA T (US) 2004-05-06 US disclosed
US-20040077639-A1 Methods for the treatment of respiratory diseases and conditions using a selective iNOS inhibitor MANNING PAMELA T (US) 2004-04-22 US disclosed
WO-2004012726-A2 METHODS FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL CONDITIONS PHARMACIA CORPORATION (US) 2004-02-12 WO disclosed
WO-2003097163-A2 USING A SELECTIVE INOS INHIBITOR FOR THE TREATMENT OF RESPIRATORY DISEASES AND CONDITIONS PHARMACIA CORPORATION (US) 2003-11-27 WO disclosed
WO-2003097050-A2 A SELECTIVE INOS INHIBITOR AND A PDE INHIBITOR IN COMBINATION FOR THE TREATMENT OF RESPIRATORY DISEASES PHARMACIA CORPORATION (US) 2003-11-27 WO disclosed
US-20030013702-A1 Agents and methods for treatment of cancer PHARMACIA CORPORATION 2003-01-16 US disclosed
WO-2002076395-A2 AGENTS AND METHODS FOR TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-03 WO disclosed
US-5684008-A Aminotetrazole derivatives useful as nitric oxide synthase inhibitors G. D. SEARLE & CO. (US) 1997-11-04 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 (4 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-20030013702-A1 Agents and methods for treatment of cancer FAP, APC, PTGIS DPP7 2947/4885GNAI3 1372/4885GNAO1 1012/4885
US-20040087653-A1 Methods for the treatment of respiratory diseases and conditions with a selective iNOS inhibitor and a PDE inhibitor and compositions therefor NOS2, NOS1, PDE3A DPP7 824/4885GNAI3 909/4885GNAO1 814/4885
US-20040077639-A1 Methods for the treatment of respiratory diseases and conditions using a selective iNOS inhibitor NOS2, NOS1, NOS3 DPP7 1396/4885GNAI3 1287/4885GNAO1 1079/4885
US-20040127569-A1 Methods for treatment and prevention of gastrointestinal conditions SI, NOS2, NOS3 DPP7 795/4885GNAI3 1185/4885GNAO1 1192/4885

“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.