SCHEMBL6678110

SCHEMBL6678110

CN(C)C(c1ccccc1Br)C1CCCCC1(O)CCc1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
AOC3 Q16853 1/20 0.32
MAPT P10636 1/20 0.32
CNR2 P34972 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ESR1 P03372 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
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6678998 0.92 TAAR1 (0.35) TAAR1AOC3MAPTCHRM2CHRM1
SCHEMBL6676684 0.89 OPRM1 (0.31) OPRM1OPRD1OPRK1OPRL1
SCHEMBL6676420 0.89 TAAR1 (0.33) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL6681024 0.88 SLC6A4 (0.39) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL6678182 0.88 SLC6A2 (0.37) TAAR1AOC3CNR2OPRM1OPRD1
SCHEMBL6677416 0.87 MEN1 (0.39) TAAR1CHRM2CHRM1CHRM3MEN1
SCHEMBL6679038 0.86 CHRM2 (0.36) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL6676948 0.85 OPRM1 (0.38) MAPTOPRM1OPRD1OPRK1OPRL1
SCHEMBL6675813 0.85 CCR5 (0.37) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL6677248 0.85 ESR1 (0.31) TAAR1ESR1OPRM1OPRD1OPRK1

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 TAAR1 554/4885AOC3 1198/4885MAPT 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.