SCHEMBL6402803

SCHEMBL6402803

O=C1NCN(c2ccccc2)C12CCN(CCCN1CCC3(CC1)C(=O)NCN3c1ccccc1)CC2

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.74
OPRK1 P41145 6/20 0.74
OPRL1 P41146 6/20 0.74
OPRD1 P41143 5/20 0.74
DRD2 P14416 4/20 0.71
HTR2A P28223 4/20 0.71
SLC6A4 P31645 4/20 0.71
HRH1 P35367 4/20 0.71
DRD3 P35462 4/20 0.71
HTR2B P41595 4/20 0.71
CYP1A2 P05177 3/20 0.71
ADRB1 P08588 3/20 0.71
CYP2D6 P10635 3/20 0.71
ADRA2B P18089 3/20 0.71
ADRA2C P18825 3/20 0.71
ADRA1A P35348 3/20 0.71
HTR6 P50406 3/20 0.71
SLC6A3 Q01959 3/20 0.71
HTR1A P08908 3/20 0.71
DRD4 P21917 3/20 0.71

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
SCHEMBL16256973 0.92 OPRM1 (0.67) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL11669922 0.92 OPRM1 (0.71) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL5296387 0.92 OPRM1 (0.67) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL11932466 0.89 OPRM1 (0.72) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL904846 0.88 OPRM1 (0.62) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL10735272 0.87 DRD2 (0.86) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL11506507 0.87 DRD2 (0.57) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL9912156 0.86 OPRL1 (0.74) OPRM1OPRK1OPRL1OPRD1DRD4
SCHEMBL904933 0.86 OPRM1 (0.60) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL13964192 0.86 OPRL1 (0.74) OPRM1OPRK1OPRL1OPRD1DRD2

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-20050130961-A1 Muscarinic M1 receptor agonists for pain management ACADIA PHARMACEUTICALS INC. 2005-06-16 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-20050130961-A1 Muscarinic M1 receptor agonists for pain management CHRM1, CHRM3, CHRM2 OPRM1 6/4885OPRK1 11/4885OPRL1 7/4885

“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.