SCHEMBL4521697

SCHEMBL4521697

Cc1nn(C2CCCC2)c(N)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
PDE7A Q13946 9/20 0.38
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FPR1 P21462 2/20 0.35
CFTR P13569 1/20 0.35
HCAR3 P49019 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BTK Q06187 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
SCHEMBL20551174 0.98 HPGD (0.54) HPGDPDE7AKCNH2KDM4EALDH1A1
SCHEMBL20551368 0.97 HPGD (0.48) HPGDPDE7AKCNH2KDM4EALDH1A1
SCHEMBL20551652 0.93 HPGD (0.43) HPGDPDE7AKDM4ECFTRHCAR3
SCHEMBL1717307 0.87 HPGD (0.48) HPGDPDE7AKCNH2BTK
SCHEMBL20550960 0.86 CFTR (0.41) HPGDPDE7AFPR1CFTR
SCHEMBL4508313 0.86 HPGD (0.50) HPGDPDE7AKCNH2KDM4EALDH1A1
SCHEMBL31194583 0.84 HPGD (0.44) HPGDKCNH2BTK
SCHEMBL20551287 0.84 TEAD1 (0.41) HPGDKCNH2MEN1KMT2A
SCHEMBL4751212 0.82 HPGD (0.42) HPGDPDE7AKDM4EALDH1A1HSD17B10
SCHEMBL4519120 0.81 MAPK1 (0.48) HPGDPDE7AKCNH2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN disclosed
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 WO disclosed
US-20090054413-A1 Novel 5,6-Dihydropyrazolo[3,4-E] [L,4]Diazepin-4 (IH) -One Derivatives for the Treatment of Asthma and Chronic Obstructive Pulmonary Disease ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1931672-A1 NOVEL 5,6-DIHYDROPYRAZOLO[3,4-E] [L,4]DIAZEPIN-4 (IH) -ONE DERIVATIVES FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE. AstraZeneca AB (SE) 2008-06-18 EP disclosed
WO-2007040435-A1 NOVEL 5,6-DIHYDROPYRAZOLO[3,4-E] [L,4]DIAZEPIN-4 (IH) -ONE DERIVATIVES FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE. ASTRAZENECA AB (SE) 2007-04-12 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 (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-20090054413-A1 Novel 5,6-Dihydropyrazolo[3,4-E] [L,4]Diazepin-4 (IH) -One Derivatives for the Treatment of Asthma and Chronic Obstructive Pulmonary Disease PDE4B, PDE4A, PDE12 HPGD 55/4885PDE7A 10/4885KCNH2 948/4885
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 HPGD 16/4885PDE7A 156/4885KCNH2 3768/4885

“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.