SCHEMBL6678080

SCHEMBL6678080

CN(C)C(c1ccccc1C(F)(F)F)C1CCCCC1(O)CCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.35
OPRL1 P41146 4/20 0.35
CNR2 P34972 1/20 0.34
OPRD1 P41143 4/20 0.33
OPRK1 P41145 4/20 0.33
SLC18A3 Q16572 2/20 0.33
TRPA1 O75762 1/20 0.32
LTB4R Q15722 3/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL6679038 0.87 CHRM2 (0.36) OPRM1OPRL1OPRD1OPRK1TRPA1
SCHEMBL6677715 0.86 OPRM1 (0.37) OPRM1OPRL1OPRD1OPRK1SLC18A3
SCHEMBL6676727 0.86 SLC6A2 (0.35)
SCHEMBL6675795 0.85 OPRM1 (0.38) OPRM1OPRL1OPRD1OPRK1SLC18A3
SCHEMBL6680122 0.84 SLC6A2 (0.42) OPRM1OPRL1OPRD1OPRK1SLC18A3
SCHEMBL6676948 0.84 OPRM1 (0.38) OPRM1OPRL1OPRD1OPRK1SLC18A3
SCHEMBL5158078 0.82 OPRM1 (0.40) OPRM1OPRL1OPRD1OPRK1SLC18A3
SCHEMBL6680161 0.80 SLC18A3 (0.37) OPRM1OPRL1OPRD1OPRK1SLC18A3
SCHEMBL6681535 0.80 TRPA1 (0.35) OPRM1OPRL1TRPA1
SCHEMBL6679373 0.80 TRPA1 (0.34) OPRM1OPRL1TRPA1

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
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-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 OPRM1 9/4885OPRL1 26/4885CNR2 85/4885

“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.