SCHEMBL5967321

SCHEMBL5967321

CO[C@H](CN)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
HTR2A P28223 3/20 0.52
CHRNB2 P17787 3/20 0.49
CHRNA4 P43681 3/20 0.49
NOS2 P35228 1/20 0.46
HRH1 P35367 2/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL913620 1.00 TAAR1 (0.52) TAAR1HTR2ACHRNB2CHRNA4NOS2
SCHEMBL9734378 1.00 TAAR1 (0.52) TAAR1HTR2ACHRNB2CHRNA4NOS2
Hydrochloric Acid SCHEMBL20746350 0.98 TAAR1 (0.50) TAAR1HTR2ACHRNB2CHRNA4NOS2
SCHEMBL2871199 0.88 CHRNB2 (0.57) TAAR1HTR2ACHRNB2CHRNA4
SCHEMBL6336591 0.83 HRH1 (0.56) TAAR1HTR2ANOS2HRH1SLC6A2
SCHEMBL6343043 0.81 SLC6A4 (0.41) TAAR1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL13569341 0.80 AOC3 (0.42) TAAR1
SCHEMBL13569343 0.80 AOC3 (0.42) TAAR1
SCHEMBL18257696 0.80 AOC3 (0.42) TAAR1
SCHEMBL8269660 0.79 LMNA (0.48) TAAR1HTR2AHRH1SLC6A2SLC6A4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076456-A1 SIGMA-1 RECEPTOR LIGANDS AND THERAPEUTIC USES THEREOF Université de Strasbourg (FR) 2022-10-26 EP disclosed
WO-2021123174-A1 SIGMA-1 RECEPTOR LIGANDS AND THERAPEUTIC USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2021-06-24 WO disclosed
US-7632972-B2 Reacting an acid and an amine; apoptosis; carbamate, and N-phenethyl-2-phenylacetamide THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLIONIS (US) 2009-12-15 US disclosed
US-7632972-B2 Reacting an acid and an amine; apoptosis; carbamate, and N-phenethyl-2-phenylacetamide THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLIONIS (US) 2009-12-15 US disclosed
US-20060223761-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. (US) 2006-10-05 US disclosed
US-6888022-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ATHENA NEUROSCIENCES, INC. (US) 2005-05-03 US disclosed
US-6861558-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. (US) 2005-03-01 US disclosed
US-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis AUDIA JAMES E (US) 2003-12-11 US disclosed
US-6476263-B1 Compounds for inhibiting β-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-05-02 US disclosed
US-6211235-B1 ALZHEIMERS DISEASE ELAN PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6207710-B1 FOR THERAPY OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-03-27 US disclosed
US-6191166-B1 ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 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 (3 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-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP TAAR1 2561/4885HTR2A 1574/4885CHRNB2 207/4885
US-20060223761-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP TAAR1 2528/4885HTR2A 1622/4885CHRNB2 175/4885
US-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP TAAR1 2561/4885HTR2A 1574/4885CHRNB2 207/4885

“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.