SCHEMBL4905481

SCHEMBL4905481

COC1=C(c2cc(Cl)cc(Cl)c2)C(=O)C2(Cc3ccc(C#N)cc3)CC(NC(C)=O)CN12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
ITGB2 P05107 3/20 0.33
ICAM1 P05362 3/20 0.33
ITGAL P20701 3/20 0.33
AR P10275 2/20 0.33
CNR1 P21554 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP2C9 P11712 3/20 0.33
USP2 O75604 2/20 0.33
CYP2D6 P10635 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CYP1A2 P05177 2/20 0.32
TSHR P16473 2/20 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
SCHEMBL4905313 1.00 MCHR1 (0.36) MCHR1CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL4637406 1.00 MCHR1 (0.36) MCHR1CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL4912813 0.89 CCR5 (0.38) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL4637355 0.89 CCR5 (0.38) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL4637351 0.89 CCR5 (0.38) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL4637461 0.88 MCHR1 (0.36) MCHR1CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL4639084 0.88 MCHR1 (0.36) MCHR1CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL4637464 0.88 MCHR1 (0.36) MCHR1CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL4637446 0.85 MCHR1 (0.37) MCHR1TRPV4ITGB2ICAM1ITGAL
SCHEMBL4638978 0.85 MCHR1 (0.37) MCHR1TRPV4ITGB2ICAM1ITGAL

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 1 patent. 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

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 2526/4885CYP3A4 1012/4885CYP2C19 1229/4885

“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.