SCHEMBL6676441

SCHEMBL6676441

COc1cccc(C(C2CCCCC2(O)CCc2ccccc2)N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.45
SLC6A4 P31645 8/20 0.45
OPRM1 P35372 5/20 0.41
SLC22A1 O15245 3/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR5 P51681 1/20 0.39
CASR P41180 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PDE4A P27815 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL6940376 0.92 SLC6A4 (0.36) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL5158078 0.88 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1
SCHEMBL6936755 0.87 SLC6A2 (0.47) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL5164176 0.86 SLC6A2 (0.44) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL6938762 0.82 SLC6A3 (0.37) SLC6A2SLC6A4OPRM1CCR5SLC6A3
SCHEMBL6681587 0.82 SLC6A4 (0.41) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL5159886 0.81 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL7737764 0.80 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL6680122 0.79 SLC6A2 (0.42) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6939728 0.79 ALDH1A1 (0.40) SLC6A2SLC6A4OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289514-B1 USE OF SUBSTITUTED 1-AMINO-5-PHENYLPENTANE-3-OL AND/OR 1-AMINO-6-PHENYLHEXANE-3-OL COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-11-03 EP claimed
US-6784175-B2 WITH AN N-METHYL-D-ASPARTATE (NMDA) ANTAGONISTIC EFFECT GRUENENTHAL GMBH (DE) 2004-08-31 US claimed
US-20030181450-A1 Use of substituted 1-amino-5-phenylpentane-3-ol and/or 1-amino-6-phenylhexane-3-ol compounds as medicaments GRUENENTHAL GMBH (DE) 2003-09-25 US claimed
EP-1289514-A1 USE OF SUBSTITUTED 1-AMINO-5-PHENYLPENTANE-3-OL AND/OR 1-AMINO-6-PHENYLHEXANE-3-OL COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-03-12 EP claimed
WO-2001089505-A1 USE OF SUBSTITUTED 1-AMINO-5-PHENYLPENTANE-3-OL AND/OR 1-AMINO-6-PHENYLHEXANE-3-OL COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2001-11-29 WO claimed
EP-1289514-B1 USE OF SUBSTITUTED 1-AMINO-5-PHENYLPENTANE-3-OL AND/OR 1-AMINO-6-PHENYLHEXANE-3-OL COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-11-03 EP disclosed
US-6784175-B2 WITH AN N-METHYL-D-ASPARTATE (NMDA) ANTAGONISTIC EFFECT GRUENENTHAL GMBH (DE) 2004-08-31 US disclosed
US-20030181450-A1 Use of substituted 1-amino-5-phenylpentane-3-ol and/or 1-amino-6-phenylhexane-3-ol compounds as medicaments GRUENENTHAL GMBH (DE) 2003-09-25 US disclosed
EP-1289514-A1 USE OF SUBSTITUTED 1-AMINO-5-PHENYLPENTANE-3-OL AND/OR 1-AMINO-6-PHENYLHEXANE-3-OL COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-03-12 EP disclosed
WO-2001089505-A1 USE OF SUBSTITUTED 1-AMINO-5-PHENYLPENTANE-3-OL AND/OR 1-AMINO-6-PHENYLHEXANE-3-OL COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2001-11-29 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-20030181450-A1 Use of substituted 1-amino-5-phenylpentane-3-ol and/or 1-amino-6-phenylhexane-3-ol compounds as medicaments GRIN3A, GRIN1, GRIN3B SLC6A2 199/4885SLC6A4 108/4885OPRM1 9/4885

“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.