SCHEMBL6677244

SCHEMBL6677244

Cc1ccccc1CCC1(O)CCCCC1Cc1ccccc1N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPA1 O75762 1/20 0.35
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
OPRM1 P35372 4/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
CYP2D6 P10635 2/20 0.33
TAAR1 Q96RJ0 1/20 0.32
SLC22A1 O15245 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
HPGD P15428 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLI1 P08151 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
SCHEMBL6675819 0.88 TAAR1 (0.37) MEN1KMT2ATRPA1SLC6A2SLC6A4
SCHEMBL6681753 0.88 TAAR1 (0.37) MEN1KMT2ATRPA1SLC6A2SLC6A4
SCHEMBL6678803 0.88 OPRM1 (0.40) TRPA1SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL6941045 0.84 TRPA1 (0.36) MEN1KMT2ATRPA1SLC6A2SLC6A4
SCHEMBL6676478 0.84 SLC18A3 (0.40) LMNAOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7737765 0.83 SLC18A3 (0.39) LMNAOPRM1OPRD1OPRK1
SCHEMBL6681591 0.82 KCNQ2 (0.38) MEN1KMT2ATRPA1SLC6A2SLC6A4
SCHEMBL6936768 0.81 SLC6A9 (0.39) MEN1KMT2ALMNAPOLBTDP1
Hydrochloric Acid SCHEMBL7741185 0.80 OPRL1 (0.39) MEN1KMT2ALMNAPOLBTDP1
SCHEMBL5846181 0.79 ALDH1A1 (0.38) MEN1KMT2ATRPA1SLC6A2SLC6A4

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 MEN1 1994/4885KMT2A 1594/4885LMNA 4722/4885

“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.