SCHEMBL6677008

SCHEMBL6677008

Cc1ccccc1C(C1CCCCC1(O)CCCc1ccccc1)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
LTB4R Q15722 4/20 0.35
LTB4R2 Q9NPC1 3/20 0.35
OPRM1 P35372 6/20 0.34
OPRL1 P41146 5/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6675795 0.94 OPRM1 (0.38) SLC18A3LMNAMAPTLTB4RLTB4R2
SCHEMBL6677253 0.88 LMNA (0.38) SLC18A3LMNAMAPTPOLBPKM
SCHEMBL6676290 0.88 SLC6A2 (0.41) SLC18A3LMNAMAPTLTB4RLTB4R2
SCHEMBL6680161 0.88 SLC18A3 (0.37) SLC18A3LMNAMAPTLTB4RLTB4R2
SCHEMBL5159886 0.87 OPRM1 (0.42) SLC18A3LMNAMAPTLTB4RLTB4R2
SCHEMBL6936116 0.87 SLC6A9 (0.39) SLC18A3LMNAOPRM1OPRL1OPRD1
Hydrochloric Acid SCHEMBL7737764 0.86 OPRM1 (0.41) SLC18A3LMNAMAPTLTB4RLTB4R2
SCHEMBL6679373 0.85 TRPA1 (0.34) OPRM1OPRL1KDM4E
SCHEMBL6676425 0.85 KDM4E (0.33) OPRM1OPRL1OPRD1OPRK1KDM4E
SCHEMBL6676423 0.83 TAAR1 (0.35) KDM4EALDH1A1

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 SLC18A3 324/4885LMNA 4722/4885MAPT 2303/4885

“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.