SCHEMBL5109758

SCHEMBL5109758

CCC/C=C(\C#N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
POLB P06746 1/20 0.38
EP300 Q09472 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC16A3 O15427 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
SLC16A1 P53985 1/20 0.36
GPR35 Q9HC97 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL7565234 1.00 GRIK1 (0.39) GRIK1GRIK2POLBEP300CISD1
SCHEMBL148172 1.00 GRIK1 (0.39) GRIK1GRIK2POLBEP300CISD1
SCHEMBL116432 0.88 EP300 (0.47) GRIK1POLBEP300SLC16A3SLC16A1
SCHEMBL5037139 0.88 EP300 (0.47) GRIK1POLBEP300SLC16A3SLC16A1
SCHEMBL5935303 0.88 EP300 (0.47) GRIK1POLBEP300SLC16A3SLC16A1
SCHEMBL447973 0.86 EP300 (0.55) POLBEP300
SCHEMBL9361015 0.86 EP300 (0.55) POLBEP300
SCHEMBL973729 0.84 EP300 (0.58) POLBEP300
SCHEMBL142755 0.84 EP300 (0.58) POLBEP300
SCHEMBL1274680 0.84 EP300 (0.58) POLBEP300

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-7348344-B2 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2008-03-25 US disclosed
US-20070027191-A1 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2007-02-01 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0335641-B1 Organic nonlinear optical substance TEIJIN LTD (JP) 1994-01-05 EP disclosed
US-5196147-A Optical crystals TEIJIN LIMITED (JP) 1993-03-23 US disclosed
EP-0335641-A2 Organic nonlinear optical substance TEIJIN LIMITED (JP) 1989-10-04 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-20070027191-A1 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds CHRM1, CHRNA1, CHRNA9 GRIK1 344/4885GRIK2 475/4885POLB 2363/4885

“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.