SCHEMBL8932777

SCHEMBL8932777

CCn1cncc1CC(N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.49
GRIA4 P48058 5/20 0.43
GRIA1 P42261 4/20 0.43
GRIA2 P42262 4/20 0.43
GRIA3 P42263 4/20 0.43
NOS1 P29475 3/20 0.43
SLC7A5 Q01650 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.40
ACE2 Q9BYF1 4/20 0.39
ACE P12821 3/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39

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
SCHEMBL5795113 1.00 SLC1A3 (0.49) SLC1A3GRIA4GRIA1GRIA2GRIA3
SCHEMBL10397324 0.88 SLC1A3 (0.47) SLC1A3GRIA4GRIA1GRIA2GRIA3
SCHEMBL10397323 0.88 SLC1A3 (0.47) SLC1A3GRIA4GRIA1GRIA2GRIA3
SCHEMBL10398089 0.85 SLC1A3 (0.44) SLC1A3GRIA4GRIA1GRIA2GRIA3
SCHEMBL10398088 0.85 SLC1A3 (0.44) SLC1A3GRIA4GRIA1GRIA2GRIA3
SCHEMBL10769499 0.84 SLC1A3 (0.49) SLC1A3GRIA4GRIA1GRIA2GRIA3
SCHEMBL18822326 0.84 SLC1A3 (0.46) SLC1A3GRIA4GRIA1GRIA2GRIA3
SCHEMBL31295463 0.82 ACE2 (0.37) SLC1A3NOS1CYP3A4ACE2ACE
SCHEMBL8824882 0.81 SLC1A3 (0.51) SLC1A3GRIA4GRIA1GRIA2GRIA3
SCHEMBL28559 0.81 SLC1A3 (0.51) SLC1A3GRIA4GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4570017-A Preparation of optically-active (mixed) anhydrides and acids SHELL OIL COMPANY (US) 1986-02-11 US claimed
US-4529810-A Preparation of optically-active alpha-substituted carboxylic esters and acids SHELL OIL COMPANY (US) 1985-07-16 US claimed
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 EP claimed
US-8101782-B2 Drug hybrid of rivastigmine or physostigmine with tranylcypromine, amoxapine, desipramine, nortriptyline, protriptyline, fluoxetine, fluvoxamine, paroxetine, duloxetine, betahistine, amlodipine, proylhexedrine, rimantadine, desloratadine; Alzheimer's disease; Parkinson's disease, impairment in memory COLUCID PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20080261950-A1 Compounds that inhibit cholinesterase COLUCID PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
WO-1996025155-A1 DIAGNOSIS OF AND COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE BIOSCREEN PTY. LIMITED (AU) 1996-08-22 WO disclosed
WO-1992007872-A1 TENASCIN RELATED PEPTIDES CALIFORNIA INSTITUTE OF BIOLOGICAL RESEARCH (US) 1992-05-14 WO disclosed
US-4570017-A Preparation of optically-active (mixed) anhydrides and acids SHELL OIL COMPANY (US) 1986-02-11 US disclosed
US-4529810-A Preparation of optically-active alpha-substituted carboxylic esters and acids SHELL OIL COMPANY (US) 1985-07-16 US disclosed
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 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 (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-20080261950-A1 Compounds that inhibit cholinesterase ACHE, BCHE, CHAT SLC1A3 1291/4885GRIA4 780/4885GRIA1 946/4885

“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.