SCHEMBL5984495

SCHEMBL5984495

O=c1[nH]c2ccccc2n1C1CCN(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.85
CYP2C9 P11712 1/20 0.85
CHRM1 P11229 7/20 0.81
ADRA1A P35348 4/20 0.78
ADRA1D P25100 2/20 0.78
ADRA1B P35368 1/20 0.78
PMP22 Q01453 3/20 0.76
KDM4E B2RXH2 2/20 0.76
ALDH1A1 P00352 2/20 0.76
NPSR1 Q6W5P4 2/20 0.76
PLD1 Q13393 1/20 0.73
OPRK1 P41145 5/20 0.72
OPRM1 P35372 5/20 0.72
OPRL1 P41146 2/20 0.72
DRD2 P14416 7/20 0.72
KCNH2 Q12809 7/20 0.72
HTR1A P08908 4/20 0.72
HTR2A P28223 4/20 0.72
DRD3 P35462 4/20 0.72
LMNA P02545 3/20 0.72

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
SCHEMBL6404859 0.96 CHRM1 (0.88) CYP2D6CYP2C9CHRM1ADRA1AADRA1D
SCHEMBL6404540 0.94 PLD1 (0.81) CYP2D6CYP2C9CHRM1ADRA1AADRA1D
SCHEMBL11507088 0.94 DRD2 (0.82) CYP2D6CYP2C9CHRM1ADRA1AADRA1D
Hydrochloric Acid SCHEMBL7256214 0.94 CYP2D6 (0.76) CYP2D6CYP2C9CHRM1ADRA1AADRA1D
SCHEMBL5772590 0.92 CYP2D6 (1.00) CYP2D6CYP2C9CHRM1ADRA1AADRA1D
SCHEMBL6406273 0.91 CHRM1 (0.77) CYP2D6CYP2C9CHRM1ADRA1AADRA1D
SCHEMBL5728747 0.91 CHRM1 (0.77) CYP2D6CYP2C9CHRM1ADRA1AADRA1D
SCHEMBL24709114 0.90 CYP2D6 (0.74) CYP2D6CYP2C9CHRM1ADRA1AADRA1D
SCHEMBL8117809 0.90 CHRM1 (0.75) CYP2D6CYP2C9CHRM1ADRA1AADRA1D
SCHEMBL5984986 0.90 CHRM1 (0.79) CYP2D6CYP2C9CHRM1ADRA1AADRA1D

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-1613321-A2 MUSCARINIC M1 RECEPTOR AGONISTS FOR PAIN MANAGEMENT Acadia Pharmaceuticals Inc. (US) 2006-01-11 EP disclosed
US-20050130961-A1 Muscarinic M1 receptor agonists for pain management ACADIA PHARMACEUTICALS INC. 2005-06-16 US disclosed
WO-2004087158-A2 MUSCARINIC M1 RECEPTOR AGONISTS FOR PAIN MANAGEMENT ACADIA PHARMACEUTICALS INC. (US) 2004-10-14 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-20050130961-A1 Muscarinic M1 receptor agonists for pain management CHRM1, CHRM3, CHRM2 CYP2D6 1240/4885CYP2C9 2182/4885CHRM1 1/4885

“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.