SCHEMBL4638982

SCHEMBL4638982

CC(=O)N[C@@H]1CN2C(=O)C(c3cc(Cl)cc(Cl)c3)=C(O)[C@@]2(Cc2ccc(C#N)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.37
CNR1 P21554 1/20 0.34
ITGB2 P05107 4/20 0.33
ICAM1 P05362 4/20 0.33
ITGAL P20701 4/20 0.33
SMPD3 Q9NY59 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
METAP2 P50579 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
AR P10275 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
DRD2 P14416 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR1 P21453 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
SCHEMBL4637446 1.00 MCHR1 (0.37) MCHR1CNR1ITGB2ICAM1ITGAL
SCHEMBL4638978 1.00 MCHR1 (0.37) MCHR1CNR1ITGB2ICAM1ITGAL
SCHEMBL4637464 0.90 MCHR1 (0.36) MCHR1CNR1ITGB2ICAM1ITGAL
SCHEMBL4637461 0.90 MCHR1 (0.36) MCHR1CNR1ITGB2ICAM1ITGAL
SCHEMBL4639084 0.90 MCHR1 (0.36) MCHR1CNR1ITGB2ICAM1ITGAL
SCHEMBL4909886 0.89 ITGAL (0.36) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL4637419 0.89 ITGAL (0.36) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL4637415 0.89 ITGAL (0.36) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL4905481 0.85 MCHR1 (0.36) MCHR1CNR1ITGB2ICAM1ITGAL
SCHEMBL4905313 0.85 MCHR1 (0.36) MCHR1CNR1ITGB2ICAM1ITGAL

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 2526/4885CNR1 1890/4885ITGB2 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.