SCHEMBL4510428

SCHEMBL4510428

CCCCC1CCN(C(CCO)c2ccc(O)cc2O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.34
HTR1A P08908 8/20 0.34
DRD4 P21917 8/20 0.34
DRD1 P21728 7/20 0.34
DRD5 P21918 7/20 0.34
DRD3 P35462 7/20 0.34
DRD2 P14416 7/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1D P25100 1/20 0.33

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
SCHEMBL19806936 0.70 TYR (0.40) TYROPRM1BCHEACHE
SCHEMBL13597044 0.67 DPP4 (0.55) HTR1ADRD3DRD2OPRM1OPRD1
SCHEMBL10989118 0.66 LSS (0.38) DRD3BCHE
SCHEMBL19806939 0.65 TYR (0.40) TYR
SCHEMBL28020315 0.65 MEN1 (0.36) TYRACHE
SCHEMBL19806873 0.65 ESR2 (0.44) TYR
SCHEMBL11039210 0.64 ESR2 (0.41) TYRBCHEACHE
SCHEMBL13596995 0.64 MEN1 (0.52) ACHECHRM4
SCHEMBL19007298 0.63 TYR (0.42) TYRBCHEACHE
SCHEMBL31545402 0.63 TYR (0.50) TYRACHECHRM2CHRM5ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485651-B2 Compounds with activity on muscarinic receptors ACADIA PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-20030144285-A1 Compounds with activity on muscarinic receptors BRANN MARK (US) 2003-07-31 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-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 TYR 1533/4885HTR1A 147/4885DRD4 824/4885

“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.