SCHEMBL5140299

SCHEMBL5140299

O=C(O)CC1CC=CC=N1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.34
GABRR1 P24046 4/20 0.34
GABRA5 P31644 4/20 0.34
GABRB2 P47870 4/20 0.34
GABRA4 P48169 4/20 0.34
SLC6A12 P48065 4/20 0.34
SLC6A13 Q9NSD5 4/20 0.34
SLC6A11 P48066 3/20 0.32
SLC6A1 P30531 1/20 0.32

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
SCHEMBL8819835 0.81 GABRA1 (0.33) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL3751940 0.74
SCHEMBL9166499 0.70
SCHEMBL746463 0.68
SCHEMBL31427048 0.68 SLC6A12 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL9334066 0.67
SCHEMBL9829487 0.65
SCHEMBL7422533 0.64 TDP1 (0.31)
SCHEMBL10556453 0.64
SCHEMBL1101334 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251194-B1 USE OF CARBOCYCLIC AND HETEROCYCLIC CONDENSED DIHYDROPYRIDINES FOR THE PREPARATION OF CARDIOPROTECTIVE REMEDIES AND HETEROCYCLIC AND CARBOCYCLIC CONDENSED DIHYDROPYRIDINES AND METHODS AND INTERMEDIATES FOR THEIR PREPARATION BOEHRINGER INGELHEIM KG (DE) 1993-03-31 EP claimed
US-20080214646-A1 Novel Nsaids Possessing a Nitric Oxide Donor Diazen-1-Ium-1,2-Diolate Moiety UNIVERSITY OF ALBERTA (CA) 2008-09-04 US disclosed
EP-1885375-A1 NOVEL NSAIDS POSSESSING A NITRIC OXIDE DONOR DIAZEN-1-IUM-1,2-DIOLATE MOIETY The Governors of the University of Alberta (CA) 2008-02-13 EP disclosed
WO-2006125016-A1 NOVEL NSAIDS POSSESSING A NITRIC OXIDE DONOR DIAZEN-1-IUM-1,2-DIOLATE MOIETY THE GOVERNORS OF THE UNIVERISITY OF ALBERTA (CA) 2006-11-23 WO disclosed
WO-1997046207-A2 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-12-11 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-20080214646-A1 Novel Nsaids Possessing a Nitric Oxide Donor Diazen-1-Ium-1,2-Diolate Moiety PTGS1, NOS1, NOS2 GABRA1 970/4885GABRR1 1058/4885GABRA5 2011/4885

“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.