SCHEMBL6676708

SCHEMBL6676708

CN(C)C(c1ccccc1F)C1CCCCC1(O)CCc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
ESR1 P03372 1/20 0.34
PDE7A Q13946 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SLC6A3 Q01959 1/20 0.32
AOC3 Q16853 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6681024 0.92 SLC6A4 (0.39) SLC6A4SLC6A2ESR1PDE7ATAAR1
SCHEMBL6678998 0.92 TAAR1 (0.35) SLC6A4SLC6A2ESR1TAAR1AOC3
SCHEMBL6679404 0.92 SLC6A2 (0.42) SLC6A4SLC6A2PDE7ATAAR1AOC3
SCHEMBL6676963 0.89 SLC6A2 (0.38) SLC6A4SLC6A2PDE7ATAAR1AOC3
SCHEMBL6677248 0.89 ESR1 (0.31) ESR1TAAR1OPRM1OPRD1OPRK1
SCHEMBL6678182 0.88 SLC6A2 (0.37) SLC6A4SLC6A2PDE7ATAAR1AOC3
SCHEMBL6676727 0.87 SLC6A2 (0.35) SLC6A4SLC6A2ESR1PDE7ATAAR1
SCHEMBL6675812 0.87 SLC6A2 (0.38) SLC6A4SLC6A2PDE7ATAAR1SLC6A3
SCHEMBL6677715 0.85 OPRM1 (0.37) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL6677382 0.85 CCR5 (0.37) SLC6A4SLC6A2TAAR1AOC3SIGMAR1

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 SLC6A4 108/4885SLC6A2 199/4885ESR1 2707/4885

“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.