SCHEMBL5452229

SCHEMBL5452229

O=C(Nc1ccc(N2CCOCC2=O)cc1)C1CCCN1Cc1cc(-c2ccc(Cl)cc2)on1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 17/20 0.52
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42

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
SCHEMBL5452226 1.00 F10 (0.52) F10NPC1RAB9APTGS2CNR1
SCHEMBL5467276 0.88 F10 (0.64) F10
SCHEMBL5467272 0.88 F10 (0.64) F10
SCHEMBL5458443 0.87 F10 (0.51) F10PTGS2CNR1CNR2
SCHEMBL5458437 0.87 F10 (0.51) F10PTGS2CNR1CNR2
SCHEMBL5460140 0.85 F10 (0.51) F10NPC1RAB9APTGS2
SCHEMBL5473910 0.84 F10 (0.52) F10PTGS2
SCHEMBL5473913 0.84 F10 (0.52) F10PTGS2
SCHEMBL5466053 0.82 F10 (0.61) F10PTGS2
SCHEMBL5466056 0.82 F10 (0.61) F10PTGS2

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-20070265259-A1 Proline Derivatives MERCK PATENT GMBH (DE) 2007-11-15 — — US claimed

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-20070265259-A1 Proline Derivatives F2, XPNPEP1, PRAP1 F10 10/4885NPC1 2226/4885RAB9A 2096/4885

“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.

Send feedback