SCHEMBL6045443

SCHEMBL6045443

CC(=O)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 13/20 0.83
CHRM3 P20309 13/20 0.83
SIGMAR1 Q99720 3/20 0.76
OPRM1 P35372 1/20 0.76
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
HTR2A P28223 2/20 0.63
HTR2C P28335 2/20 0.63
HTR2B P41595 2/20 0.63
DRD2 P14416 1/20 0.63
ACHE P22303 1/20 0.62

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
SCHEMBL27332898 0.87 OPRM1 (0.77) CHRM2CHRM3SIGMAR1OPRM1MEN1
SCHEMBL6045571 0.86 OPRM1 (1.00) CHRM2CHRM3SIGMAR1OPRM1MEN1
SCHEMBL684578 0.86 OPRM1 (0.77) CHRM3SIGMAR1OPRM1DRD2
Hydrochloric Acid SCHEMBL29651340 0.85 OPRM1 (0.97) CHRM2CHRM3SIGMAR1OPRM1MEN1
SCHEMBL7095304 0.85 CHRM2 (0.69) CHRM2CHRM3SIGMAR1OPRM1MEN1
SCHEMBL31255945 0.85 CHRM2 (1.00) CHRM2CHRM3SIGMAR1OPRM1MEN1
SCHEMBL15848501 0.85 CHRM2 (0.72) CHRM2CHRM3SIGMAR1OPRM1MEN1
SCHEMBL2604437 0.85 CHRM2 (0.81) CHRM2CHRM3SIGMAR1OPRM1MEN1
Oxalic Acid SCHEMBL6045624 0.84 OPRM1 (0.95) CHRM2CHRM3SIGMAR1OPRM1MEN1
SCHEMBL9785706 0.84 CHRM2 (0.67) CHRM2CHRM3SIGMAR1OPRM1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117664949-A Detection method of surface-enhanced Raman nano particles and fentanyl substances 深圳海关工业品检测技术中心 2024-03-08 CN claimed
CN-117664949-A Detection method of surface-enhanced Raman nano particles and fentanyl substances 深圳海关工业品检测技术中心 2024-03-08 CN disclosed
WO-2014116684-A1 NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS ROBERTS EDWARD (US) 2014-07-31 WO disclosed
US-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR CHRM2 630/4885CHRM3 364/4885SIGMAR1 179/4885

“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.