SCHEMBL6404859

SCHEMBL6404859

O=c1[nH]c2ccccc2n1C1CCN(CCCCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.88
CYP2D6 P10635 4/20 0.83
CYP2C9 P11712 1/20 0.83
ADRA1A P35348 4/20 0.80
ADRA1D P25100 2/20 0.80
ADRA1B P35368 1/20 0.80
PMP22 Q01453 3/20 0.74
KDM4E B2RXH2 2/20 0.74
ALDH1A1 P00352 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
PLD1 Q13393 1/20 0.72
OPRM1 P35372 6/20 0.70
OPRK1 P41145 5/20 0.70
OPRL1 P41146 2/20 0.70
DRD2 P14416 7/20 0.70
KCNH2 Q12809 7/20 0.70
HTR1A P08908 4/20 0.70
HTR2A P28223 4/20 0.70
DRD3 P35462 4/20 0.70
CHRM5 P08912 1/20 0.70

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 0.96 CYP2D6 (0.85) CHRM1CYP2D6CYP2C9ADRA1AADRA1D
SCHEMBL7961140 0.94 CHRM1 (1.00) CHRM1CYP2D6CYP2C9ADRA1AADRA1D
SCHEMBL5984986 0.94 CHRM1 (0.79) CHRM1CYP2D6CYP2C9ADRA1AADRA1D
SCHEMBL7964885 0.94 CHRM1 (1.00) CHRM1CYP2D6CYP2C9ADRA1AADRA1D
SCHEMBL6404540 0.93 PLD1 (0.81) CHRM1CYP2D6CYP2C9ADRA1AADRA1D
SCHEMBL6406273 0.92 CHRM1 (0.77) CHRM1CYP2D6CYP2C9ADRA1AADRA1D
SCHEMBL5728747 0.92 CHRM1 (0.77) CHRM1CYP2D6CYP2C9ADRA1AADRA1D
SCHEMBL8117809 0.91 CHRM1 (0.75) CHRM1CYP2D6CYP2C9ADRA1AADRA1D
SCHEMBL5772590 0.91 CYP2D6 (1.00) CHRM1CYP2D6CYP2C9ADRA1AADRA1D
SCHEMBL24708725 0.90 CHRM1 (0.73) CHRM1CYP2D6CYP2C9ADRA1AADRA1D

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 CHRM1 1/4885CYP2D6 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.