SCHEMBL6404540

SCHEMBL6404540

O=c1[nH]c2ccccc2n1C1CCN(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.81
CYP2D6 P10635 2/20 0.81
CYP2C9 P11712 1/20 0.81
CHRM1 P11229 5/20 0.77
OPRM1 P35372 7/20 0.76
OPRK1 P41145 3/20 0.76
OPRL1 P41146 2/20 0.76
DRD2 P14416 3/20 0.75
KCNH2 Q12809 3/20 0.75
ADRA1A P35348 2/20 0.73
ADRA1D P25100 1/20 0.73
ADRA1B P35368 1/20 0.73
KDM4E B2RXH2 2/20 0.72
ALDH1A1 P00352 2/20 0.72
PMP22 Q01453 2/20 0.72
NPSR1 Q6W5P4 2/20 0.72
PLD2 O14939 1/20 0.69
HTR7 P34969 1/20 0.68
HTR1A P08908 2/20 0.67
HTR2A P28223 2/20 0.67

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
SCHEMBL5984495 0.94 CYP2D6 (0.85) PLD1CYP2D6CYP2C9CHRM1OPRM1
SCHEMBL6404859 0.93 CHRM1 (0.88) PLD1CYP2D6CYP2C9CHRM1OPRM1
SCHEMBL10311362 0.92 CYP2D6 (0.73) PLD1CYP2D6CYP2C9CHRM1OPRM1
SCHEMBL28539041 0.92 CYP2D6 (0.86) PLD1CYP2D6CYP2C9CHRM1OPRM1
Bromide SCHEMBL11719960 0.91 CYP2D6 (0.72) PLD1CYP2D6CYP2C9CHRM1OPRM1
SCHEMBL5777954 0.90 OPRM1 (0.77) PLD1CYP2D6CYP2C9CHRM1OPRM1
SCHEMBL5772590 0.90 CYP2D6 (1.00) PLD1CYP2D6CYP2C9CHRM1OPRM1
SCHEMBL7963223 0.89 CYP2D6 (0.77) PLD1CYP2D6CYP2C9CHRM1OPRM1
SCHEMBL6406273 0.88 CHRM1 (0.77) PLD1CYP2D6CYP2C9CHRM1OPRM1
SCHEMBL5773820 0.88 CHRM1 (0.75) PLD1CYP2D6CYP2C9CHRM1OPRM1

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 PLD1 712/4885CYP2D6 1240/4885CYP2C9 2182/4885

“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.