SCHEMBL5459825

SCHEMBL5459825

CCC1(CN)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.47
CYP2D6 P10635 6/20 0.47
CHRM2 P08172 2/20 0.47
ADRA2A P08913 2/20 0.47
CHRM1 P11229 2/20 0.47
DRD1 P21728 2/20 0.47
DRD3 P35462 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM3 P20309 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46

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
SCHEMBL28891328 0.80 OPRM1 (0.42) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL8942099 0.79 NPSR1 (0.49) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL3153086 0.79 NPSR1 (0.53) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL69083 0.76 OPRM1 (0.56) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL2142315 0.76 OPRM1 (0.51) OPRM1CYP2D6NPSR1GPR55CYP3A4
SCHEMBL13182972 0.76 CYP2D6 (0.47) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL1190457 0.75 OPRM1 (0.49) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL8941915 0.73 OPRM1 (0.49) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL70986 0.73 OPRM1 (0.49) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL23366619 0.73 OPRM1 (0.49) OPRM1CYP2D6CHRM2ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL OPRM1 1670/4885CYP2D6 134/4885CHRM2 4698/4885

“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.