SCHEMBL5845804

SCHEMBL5845804

CN(C)c1ccccc1CC1CCCCC1(O)Cc1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.39
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A3 Q01959 2/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TRPA1 O75762 1/20 0.34
STS P08842 1/20 0.34

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 SCHEMBL5846229 0.99 KCNQ2 (0.39) KCNQ2MEN1KMT2ASLC6A4SLC6A2
SCHEMBL6681591 0.90 KCNQ2 (0.38) KCNQ2MEN1KMT2ASLC6A4SLC6A2
SCHEMBL5846320 0.88 SLC6A4 (0.36) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL6936768 0.88 SLC6A9 (0.39) MEN1KMT2ASLC6A4SLC6A2POLB
SCHEMBL6937427 0.87 TRPA1 (0.38) MEN1KMT2ASLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL5847568 0.87 SLC6A4 (0.36) MEN1KMT2ASLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL7741185 0.87 OPRL1 (0.39) MEN1KMT2ASLC6A4SLC6A2POLB
SCHEMBL6942328 0.85 SLC6A4 (0.47) MEN1KMT2ASLC6A4SLC6A2MAPT
SCHEMBL6940278 0.85 SIGMAR1 (0.36) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL5845144 0.85 TRPA1 (0.35) MEN1KMT2ASLC6A4SLC6A2SLC6A3

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 KCNQ2 4262/4885MEN1 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.