SCHEMBL4637409

SCHEMBL4637409

CC(=O)NC1CN2C(=O)C(c3cc(Cl)cc(Cl)c3)=C(OC(C)=O)C2(Cc2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LTA4H P09960 2/20 0.33
GRIN2B Q13224 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
CREBBP Q92793 2/20 0.33
ITGA4 P13612 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
TACR1 P25103 2/20 0.31
TACR3 P29371 1/20 0.31
OGA O60502 1/20 0.31
ALOX15 P16050 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL4916998 0.84 CCR5 (0.36) ITGB2ICAM1ITGALS1PR1S1PR5
SCHEMBL4905490 0.82 S1PR1 (0.31) S1PR1S1PR5
SCHEMBL4637461 0.82 MCHR1 (0.36) ALDH1A1ITGB2ICAM1ITGALMAPK1
SCHEMBL4639084 0.82 MCHR1 (0.36) ALDH1A1ITGB2ICAM1ITGALMAPK1
SCHEMBL4637464 0.82 MCHR1 (0.36) ALDH1A1ITGB2ICAM1ITGALMAPK1
SCHEMBL4637415 0.80 ITGAL (0.36) ITGB2ICAM1ITGALS1PR1S1PR5
SCHEMBL4638978 0.78 MCHR1 (0.37) ITGB2ICAM1ITGALS1PR1S1PR5
SCHEMBL4638982 0.78 MCHR1 (0.37) ITGB2ICAM1ITGALS1PR1S1PR5
SCHEMBL4637481 0.76 MCHR1 (0.36) ITGB2ICAM1ITGAL
SCHEMBL4912813 0.75 CCR5 (0.38) ITGB2ICAM1ITGALS1PR1S1PR5

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 ALDH1A1 164/4885LTA4H 412/4885GRIN2B 885/4885

“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.