SCHEMBL5456083

SCHEMBL5456083

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.45
OPRM1 P35372 4/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
OPRL1 P41146 3/20 0.43
CYP19A1 P11511 6/20 0.39
CYP2D6 P10635 3/20 0.39
ADRB2 P07550 1/20 0.38
CHRM2 P08172 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
DRD1 P21728 2/20 0.38
TBXA2R P21731 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
ADRA1A P35348 2/20 0.38
DRD3 P35462 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL5456087 1.00 SLC6A9 (0.45) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL5454642 1.00 SLC6A9 (0.45) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL9363615 0.82 OPRD1 (0.44) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL9363609 0.82 OPRD1 (0.44) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL5456638 0.82 OPRD1 (0.44) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL4589194 0.82 OPRD1 (0.44) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL5456644 0.82 OPRD1 (0.44) SLC6A9OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL9760922 0.81 OPRD1 (0.43) SLC6A9OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL9760915 0.81 OPRD1 (0.43) SLC6A9OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL9760911 0.81 OPRD1 (0.43) 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 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-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.