SCHEMBL5457722

SCHEMBL5457722

C[C@@H]1[C@@H](C(N)=O)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.49
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
GPX4 P36969 5/20 0.38
BRD4 O60885 1/20 0.36
SLC9A1 P19634 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5460052 0.76 SLC6A9 (0.48) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL5456087 0.76 SLC6A9 (0.45) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL5454642 0.76 SLC6A9 (0.45) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL5456083 0.76 SLC6A9 (0.45) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL4922750 0.73 SLC6A9 (0.42) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL30301668 0.72 SLC6A9 (0.44) SLC6A9OPRM1OPRD1OPRL1
SCHEMBL5450720 0.70 SLC6A9 (0.46) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL5461121 0.70 SLC6A9 (0.44) SLC6A9
SCHEMBL5454596 0.70 SLC6A9 (0.44) SLC6A9
SCHEMBL5450711 0.70 SLC6A9 (0.46) SLC6A9OPRM1OPRD1OPRK1OPRL1

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-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-03-22 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-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR SLC6A9 1388/4885OPRM1 829/4885OPRD1 340/4885

“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.