SCHEMBL3825485

SCHEMBL3825485

OC1(c2ccccc2)CCCC1CN1CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41
NPY2R P49146 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 2/20 0.39
OPRM1 P35372 2/20 0.39
OPRL1 P41146 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR2 P34972 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL3992958 0.98 NPY1R (0.42) NPY1RHTTNPY2RALDH1A1SMN1; SMN2
SCHEMBL3994493 0.96 OPRM1 (0.43) NPY1RHTTNPY2ROPRM1OPRL1
SCHEMBL3822905 0.96 OPRM1 (0.43) NPY1RHTTNPY2ROPRM1OPRL1
SCHEMBL3995682 0.96 OPRM1 (0.43) NPY1RHTTNPY2ROPRM1OPRL1
SCHEMBL3822529 0.96 OPRM1 (0.43) NPY1RHTTNPY2ROPRM1OPRL1
SCHEMBL3994478 0.96 OPRM1 (0.43) NPY1RHTTNPY2ROPRM1OPRL1
SCHEMBL3821321 0.86 OPRM1 (0.56) ALDH1A1OPRM1OPRL1MEN1KMT2A
SCHEMBL3822308 0.86 OPRM1 (0.40) OPRM1OPRL1MEN1KMT2ALMNA
SCHEMBL3824513 0.86 KMT2A (0.43) OPRM1OPRL1KMT2AOPRD1OPRK1
SCHEMBL3444264 0.85 CNR2 (0.44) NPY1RHTTNPY2RALDH1A1OPRM1

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
EP-1496890-B1 SUBSTITUTED BETA-AMINOALCOHOLS USED AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2009-09-02 EP claimed
US-20050020691-A1 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2005-01-27 US claimed
EP-1496890-B1 SUBSTITUTED BETA-AMINOALCOHOLS USED AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2009-09-02 EP disclosed
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 NPY1R 1383/4885HTT 2983/4885NPY2R 859/4885

“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.