SCHEMBL4905490

SCHEMBL4905490

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

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
METAP2 P50579 1/20 0.31
KCNH2 Q12809 1/20 0.30
GCGR P47871 2/20 0.30

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
SCHEMBL4672285 1.00 S1PR1 (0.31) S1PR1S1PR5METAP2KCNH2GCGR
SCHEMBL4905498 1.00 S1PR1 (0.31) S1PR1S1PR5METAP2KCNH2GCGR
SCHEMBL4916998 0.90 CCR5 (0.36) S1PR1S1PR5
SCHEMBL4637350 0.90 CCR5 (0.36) S1PR1S1PR5
SCHEMBL4637461 0.87 MCHR1 (0.36) METAP2
SCHEMBL4639084 0.87 MCHR1 (0.36) METAP2
SCHEMBL4637464 0.87 MCHR1 (0.36) METAP2
SCHEMBL4637409 0.82 ALDH1A1 (0.36) S1PR1S1PR5
SCHEMBL4637481 0.80 MCHR1 (0.36)
SCHEMBL4637431 0.80 MCHR1 (0.36)

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 S1PR1 640/4885S1PR5 760/4885METAP2 4607/4885

“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.