SCHEMBL3995682

SCHEMBL3995682

OC1(c2ccccc2)CCCCCC1CN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
OPRK1 P41145 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
OPRD1 P41143 3/20 0.43
NPY1R P25929 1/20 0.43
HTT P42858 1/20 0.43
NPY2R P49146 1/20 0.43
OPRL1 P41146 3/20 0.41
SLC22A1 O15245 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP2B6 P20813 1/20 0.41
PRCP P42785 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL3994478 1.00 OPRM1 (0.43) OPRM1SLC6A2SLC6A4OPRK1MEN1
SCHEMBL3822529 1.00 OPRM1 (0.43) OPRM1SLC6A2SLC6A4OPRK1MEN1
SCHEMBL3994493 1.00 OPRM1 (0.43) OPRM1SLC6A2SLC6A4OPRK1MEN1
SCHEMBL3822905 1.00 OPRM1 (0.43) OPRM1SLC6A2SLC6A4OPRK1MEN1
SCHEMBL3825485 0.96 NPY1R (0.41) OPRM1SLC6A2SLC6A4OPRK1MEN1
SCHEMBL3992958 0.94 NPY1R (0.42) OPRM1SLC6A2SLC6A4OPRK1MEN1
SCHEMBL3444264 0.89 CNR2 (0.44) OPRM1SLC6A2SLC6A4OPRK1MEN1
SCHEMBL3444162 0.88 CNR2 (0.45) OPRM1SLC6A2SLC6A4OPRK1MEN1
SCHEMBL3820386 0.86 KMT2A (0.43) OPRM1SLC6A2SLC6A4OPRK1MEN1
SCHEMBL3990504 0.86 KMT2A (0.43) OPRM1SLC6A2SLC6A4OPRK1MEN1

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
US-20050020691-A1 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2005-01-27 US claimed
US-7507816-B2 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2009-03-24 US disclosed
US-20050020691-A1 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2005-01-27 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-20050020691-A1 Pharmaceutical preparations comprising substituted beta-aminoalcohols ADRB1, ADRB2, ADRA1D OPRM1 36/4885SLC6A2 858/4885SLC6A4 1533/4885

“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.