SCHEMBL4637573

SCHEMBL4637573

COC1=C(c2cc(Cl)cc(Cl)c2)C(=O)N2CC(N(Cc3ccccc3)C(C)=O)CC12Cc1ccc(C#N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.35
ICAM1 P05362 3/20 0.35
ITGAL P20701 3/20 0.35
SNCA P37840 1/20 0.34
PGR P06401 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
DCUN1D1 Q96GG9 2/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
MMP7 P09237 2/20 0.32
MMP13 P45452 2/20 0.32
CCR5 P51681 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
AR P10275 1/20 0.32
UBE2M P61081 1/20 0.32
TRPV4 Q9HBA0 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
SCHEMBL4915100 1.00 ITGB2 (0.35) ITGB2ICAM1ITGALSNCAPGR
SCHEMBL4639077 1.00 ITGB2 (0.35) ITGB2ICAM1ITGALSNCAPGR
SCHEMBL4637897 0.91 TRPV4 (0.33) PGRCCR5TRPV4KDM1A
SCHEMBL4637901 0.91 TRPV4 (0.33) PGRCCR5TRPV4KDM1A
SCHEMBL4905296 0.88 TRPV4 (0.34) ITGB2ICAM1ITGALCYP2C9CCR5
SCHEMBL4637316 0.88 TRPV4 (0.34) ITGB2ICAM1ITGALCYP2C9CCR5
SCHEMBL4637313 0.88 TRPV4 (0.34) ITGB2ICAM1ITGALCYP2C9CCR5
SCHEMBL4639084 0.82 MCHR1 (0.36) ITGB2ICAM1ITGALARTRPV4
SCHEMBL4637464 0.82 MCHR1 (0.36) ITGB2ICAM1ITGALARTRPV4
SCHEMBL4637461 0.82 MCHR1 (0.36) ITGB2ICAM1ITGALARTRPV4

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 ITGB2 31/4885ICAM1 2/4885ITGAL 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.