SCHEMBL4637430

SCHEMBL4637430

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.35
KDM1A O60341 7/20 0.33
ITGAL P20701 4/20 0.33
ITGB2 P05107 3/20 0.33
ICAM1 P05362 3/20 0.33
CNR1 P21554 1/20 0.32
PDE5A O76074 1/20 0.32
PDE6C P51160 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32

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
SCHEMBL4637433 1.00 TRPV4 (0.35) TRPV4KDM1AITGALITGB2ICAM1
SCHEMBL4637395 1.00 TRPV4 (0.35) TRPV4KDM1AITGALITGB2ICAM1
SCHEMBL4637346 0.85 TRPV4 (0.34) TRPV4ITGALITGB2ICAM1CNR1
SCHEMBL4638063 0.84 TRPV4 (0.36) TRPV4ITGALITGB2ICAM1CNR1
SCHEMBL4637464 0.84 MCHR1 (0.36) TRPV4KDM1AITGALITGB2ICAM1
SCHEMBL4637908 0.84 TRPV4 (0.36) TRPV4ITGALITGB2ICAM1CNR1
SCHEMBL4637461 0.84 MCHR1 (0.36) TRPV4KDM1AITGALITGB2ICAM1
SCHEMBL4639084 0.84 MCHR1 (0.36) TRPV4KDM1AITGALITGB2ICAM1
SCHEMBL4637903 0.84 TRPV4 (0.36) TRPV4ITGALITGB2ICAM1CNR1
SCHEMBL4799595 0.84 CYP3A4 (0.37) TRPV4CNR1PDE5APDE6C

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 TRPV4 430/4885KDM1A 3314/4885ITGAL 15/4885

“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.