SCHEMBL4637539

SCHEMBL4637539

C=CCOC(=O)N1C[C@@H](NC(C)=O)C[C@@]1(Cc1ccc(C#N)cc1)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 7/20 0.32
USP2 O75604 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
DRD3 P35462 6/20 0.31
GRIN2B Q13224 1/20 0.31
PGR P06401 2/20 0.31
GRM5 P41594 1/20 0.31
SMPD3 Q9NY59 1/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL4637333 0.86 CYP3A4 (0.36) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL4638269 0.78 CNR1 (0.38) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL4637455 0.68 TSHR (0.36) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL4804860 0.63 CYP3A4 (0.45) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL4637461 0.62 MCHR1 (0.36) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL4905313 0.62 MCHR1 (0.36) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL4905481 0.62 MCHR1 (0.36) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL4639084 0.62 MCHR1 (0.36) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL2289886 0.61 MAOB (0.38) CYP3A4
SCHEMBL4702837 0.60 ITGAL (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds BAUMANN KARL 2008-10-23 US disclosed
EP-1937685-A1 TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS Novartis AG (CH) 2008-07-02 EP disclosed
WO-2007039286-A1 TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS NOVARTIS AG (CH) 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 (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-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds VCAM1, ICAM1, EPCAM CYP3A4 1012/4885CYP2C19 1229/4885ALDH1A1 164/4885

“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.