SCHEMBL4637464

SCHEMBL4637464

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
TRPV4 Q9HBA0 1/20 0.34
CNR1 P21554 1/20 0.33
GPR6 P46095 1/20 0.33
AR P10275 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE5A O76074 1/20 0.33
PDE6C P51160 1/20 0.33
ITGB2 P05107 3/20 0.32
ICAM1 P05362 3/20 0.32
ITGAL P20701 3/20 0.32
SMPD3 Q9NY59 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
F11 P03951 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
METAP2 P50579 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
SCHEMBL4637461 1.00 MCHR1 (0.36) MCHR1TRPV4CNR1GPR6AR
SCHEMBL4639084 1.00 MCHR1 (0.36) MCHR1TRPV4CNR1GPR6AR
SCHEMBL4918442 0.91 TRPV4 (0.34) TRPV4CNR1GPR6ARALDH1A1
SCHEMBL4637477 0.90 MCHR1 (0.36) MCHR1TRPV4CNR1ITGB2ICAM1
SCHEMBL4637481 0.90 MCHR1 (0.36) MCHR1TRPV4CNR1ITGB2ICAM1
SCHEMBL4637431 0.90 MCHR1 (0.36) MCHR1TRPV4CNR1ITGB2ICAM1
SCHEMBL4638978 0.90 MCHR1 (0.37) MCHR1TRPV4CNR1ARITGB2
SCHEMBL4638982 0.90 MCHR1 (0.37) MCHR1TRPV4CNR1ARITGB2
SCHEMBL4637446 0.90 MCHR1 (0.37) MCHR1TRPV4CNR1ARITGB2
SCHEMBL4917004 0.89 CCR5 (0.36) ITGB2ICAM1ITGAL

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 2526/4885TRPV4 430/4885CNR1 1890/4885

“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.