SCHEMBL4637355

SCHEMBL4637355

COC1=C(c2cc(Cl)cc(Cl)c2)C(=O)[C@]2(Cc3ccc(Br)cc3)C[C@H](NC(C)=O)CN12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.38
ITGAL P20701 9/20 0.34
ITGB2 P05107 8/20 0.34
ICAM1 P05362 8/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
MAPK8 P45983 2/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4637351 1.00 CCR5 (0.38) CCR5ITGALITGB2ICAM1S1PR1
SCHEMBL4912813 1.00 CCR5 (0.38) CCR5ITGALITGB2ICAM1S1PR1
SCHEMBL4905481 0.89 MCHR1 (0.36) ITGALITGB2ICAM1S1PR1S1PR5
SCHEMBL4637406 0.89 MCHR1 (0.36) ITGALITGB2ICAM1S1PR1S1PR5
SCHEMBL4905313 0.89 MCHR1 (0.36) ITGALITGB2ICAM1S1PR1S1PR5
SCHEMBL4916998 0.88 CCR5 (0.36) CCR5ITGALITGB2ICAM1S1PR1
SCHEMBL4917004 0.88 CCR5 (0.36) CCR5ITGALITGB2ICAM1S1PR1
SCHEMBL4637350 0.88 CCR5 (0.36) CCR5ITGALITGB2ICAM1S1PR1
SCHEMBL4637419 0.84 ITGAL (0.36) CCR5ITGALITGB2ICAM1S1PR1
SCHEMBL4909886 0.84 ITGAL (0.36) CCR5ITGALITGB2ICAM1S1PR1

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 CCR5 73/4885ITGAL 15/4885ITGB2 31/4885

“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.