SCHEMBL3993473

SCHEMBL3993473

OC1(c2ccc(Cl)cc2)CCCC1CN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.53
OPRL1 P41146 1/20 0.53
SLC18A3 Q16572 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CCR3 P51677 1/20 0.40
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL3821321 0.99 OPRM1 (0.56) OPRM1OPRL1SLC18A3HRH3TMEM97
SCHEMBL3991447 0.94 OPRM1 (0.58) OPRM1OPRL1SLC18A3HRH3TMEM97
SCHEMBL3991452 0.94 OPRM1 (0.58) OPRM1OPRL1SLC18A3HRH3TMEM97
SCHEMBL3990437 0.86 KMT2A (0.44) OPRM1OPRL1HRH3MEN1KMT2A
SCHEMBL3992914 0.86 OPRM1 (0.38) OPRM1OPRL1SIGMAR1KMT2AHSD11B1
SCHEMBL3992958 0.85 NPY1R (0.42) OPRM1OPRL1CNR2MEN1KMT2A
SCHEMBL3822308 0.84 OPRM1 (0.40) OPRM1OPRL1SIGMAR1TP53MEN1
SCHEMBL3824513 0.84 KMT2A (0.43) OPRM1OPRL1HRH3SIGMAR1KMT2A
SCHEMBL3444664 0.84 OPRM1 (0.53) OPRM1OPRL1MAPTMEN1KMT2A
SCHEMBL3825485 0.84 NPY1R (0.41) OPRM1OPRL1TMEM97SIGMAR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507816-B2 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2009-03-24 US claimed
US-20050020691-A1 Pharmaceutical preparations comprising substituted beta-aminoalcohols GRUENENTHAL GMBH (DE) 2005-01-27 US claimed
EP-1496890-A1 SUBSTITUTED BETA-AMINOALCOHOLS USED AS MEDICAMENTS Grünenthal GmbH (DE) 2005-01-19 EP claimed
WO-2003051353-A1 SUBSTITUTED BETA-AMINOALCOHOLS USED AS MEDICAMENTS Grünenthal GmbH (DE) 2003-06-26 WO 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
EP-1496890-A1 SUBSTITUTED BETA-AMINOALCOHOLS USED AS MEDICAMENTS Grünenthal GmbH (DE) 2005-01-19 EP disclosed
WO-2003051353-A1 SUBSTITUTED BETA-AMINOALCOHOLS USED AS MEDICAMENTS Grünenthal GmbH (DE) 2003-06-26 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-20050020691-A1 Pharmaceutical preparations comprising substituted beta-aminoalcohols ADRB1, ADRB2, ADRA1D OPRM1 36/4885OPRL1 23/4885SLC18A3 580/4885

“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.