SCHEMBL5846181

SCHEMBL5846181

CN(C)c1ccccc1CC1CCCCC1(O)Cc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPK1 P28482 1/20 0.38
SIGMAR1 Q99720 1/20 0.35
TRPA1 O75762 1/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A3 Q01959 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL5846854 0.99 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPK1SIGMAR1
SCHEMBL6940278 0.90 SIGMAR1 (0.36) ALDH1A1MEN1KMT2ASIGMAR1TRPA1
SCHEMBL6681753 0.88 TAAR1 (0.37) ALDH1A1MEN1KMT2AMAPK1SIGMAR1
SCHEMBL6937419 0.88 P2RX7 (0.39) KMT2ATRPA1SLC6A4SLC6A2SLC6A3
SCHEMBL5846320 0.86 SLC6A4 (0.36) MEN1KMT2ATRPA1SLC6A4SLC6A2
SCHEMBL6941995 0.86 ESR1 (0.37) ALDH1A1MEN1KMT2AMAPK1TRPA1
SCHEMBL6937028 0.86 TRPA1 (0.38) ALDH1A1MEN1KMT2ATRPA1SLC6A4
SCHEMBL6936768 0.85 SLC6A9 (0.39) MEN1KMT2ATRPA1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5847568 0.85 SLC6A4 (0.36) MEN1KMT2ATRPA1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL7741185 0.84 OPRL1 (0.39) MEN1KMT2ATRPA1SLC6A4SLC6A2

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
US-7012099-B2 Using substituted 4-amino-1- phenylbutan-2-ol compounds in form of their racemates, enantiomers, diastereoisomers or corresponding bases or corresponding salts of acids as regulators for the nociceptin/orphanin FQ ligands in drugs GRUENENTHAL GMBH (DE) 2006-03-14 US claimed
EP-1253917-B1 USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-02-16 EP claimed
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP claimed
US-20030008859-A1 Use of substituted 4-amino-1-phenylbutan-2-ol compounds as medicaments GRUENENTHAL GMBH (DE) 2003-01-09 US claimed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US claimed
US-7012099-B2 Using substituted 4-amino-1- phenylbutan-2-ol compounds in form of their racemates, enantiomers, diastereoisomers or corresponding bases or corresponding salts of acids as regulators for the nociceptin/orphanin FQ ligands in drugs GRUENENTHAL GMBH (DE) 2006-03-14 US disclosed
US-20030008859-A1 Use of substituted 4-amino-1-phenylbutan-2-ol compounds as medicaments GRUENENTHAL GMBH (DE) 2003-01-09 US disclosed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US 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-20030008859-A1 Use of substituted 4-amino-1-phenylbutan-2-ol compounds as medicaments OPRL1, OPRM1, OPRK1 ALDH1A1 659/4885MEN1 4745/4885KMT2A 4506/4885

“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.