SCHEMBL4637481

SCHEMBL4637481

COC1=C(c2cc(Cl)cc(Cl)c2)C(=O)N2C[C@@H](NC(=O)c3ccccc3)C[C@]12Cc1ccc(C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
ENPP2 Q13822 1/20 0.35
ATXN2 Q99700 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CHRM4 P08173 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4637431 1.00 MCHR1 (0.36) MCHR1ENPP2ATXN2ITGB2ICAM1
SCHEMBL4637477 1.00 MCHR1 (0.36) MCHR1ENPP2ATXN2ITGB2ICAM1
SCHEMBL4639084 0.90 MCHR1 (0.36) MCHR1ITGB2ICAM1ITGALCNR1
SCHEMBL4637464 0.90 MCHR1 (0.36) MCHR1ITGB2ICAM1ITGALCNR1
SCHEMBL4637461 0.90 MCHR1 (0.36) MCHR1ITGB2ICAM1ITGALCNR1
SCHEMBL4918442 0.88 TRPV4 (0.34) ITGB2ICAM1ITGALCNR1TRPV4
SCHEMBL4637903 0.84 TRPV4 (0.36) ITGB2ICAM1ITGALCNR1TRPV4
SCHEMBL4638063 0.84 TRPV4 (0.36) ITGB2ICAM1ITGALCNR1TRPV4
SCHEMBL4637908 0.84 TRPV4 (0.36) ITGB2ICAM1ITGALCNR1TRPV4
SCHEMBL4637433 0.82 TRPV4 (0.35) ITGB2ICAM1ITGALCNR1TRPV4

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 MCHR1 2526/4885ENPP2 1827/4885ATXN2 4281/4885

“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.