SCHEMBL2904729

SCHEMBL2904729

N[C@H]1CC[C@](O)(c2ccccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.50
OPRM1 P35372 3/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
HSD11B1 P28845 2/20 0.44
SLC6A2 P23975 2/20 0.41
CCR1 P32246 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
GRIN2B Q13224 2/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
CNR2 P34972 1/20 0.38
SLC6A4 P31645 1/20 0.35
CCR2 P41597 2/20 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
SCHEMBL2904732 1.00 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL2904725 1.00 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL743981 0.84 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL743983 0.84 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL743982 0.84 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL24455261 0.83 OPRM1 (0.60) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL5199650 0.81 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL3650966 0.80 CCR2 (0.47) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL744081 0.80 CCR2 (0.47) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL746004 0.80 CCR2 (0.47) OPRL1OPRM1OPRD1OPRK1CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 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-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 OPRL1 146/4885OPRM1 230/4885OPRD1 105/4885

“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.