SCHEMBL5756503

SCHEMBL5756503

c1cc(OC[C@@H]2CO2)c2cc[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GLA P06280 2/20 0.51
HTR1A P08908 14/20 0.50
HTR1B P28222 2/20 0.48
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
CYP3A4 P08684 3/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
DRD2 P14416 1/20 0.46
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
CYP1A2 P05177 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL1499352 1.00 ALDH1A1 (0.51) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL7884121 1.00 ALDH1A1 (0.51) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL29989447 1.00 ALDH1A1 (0.51) ALDH1A1GLAHTR1AHTR1BMEN1
Ethyl Acetate SCHEMBL11383858 0.86 ALDH1A1 (0.45) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL7876324 0.85 HTR1A (0.54) HTR1AHTR1BMEN1MAPK1KMT2A
SCHEMBL9449978 0.85 ALDH1A1 (0.47) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL19089581 0.85 HTR1A (0.54) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL10731475 0.84 ALDH1A1 (0.46) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL10731481 0.84 ALDH1A1 (0.46) ALDH1A1GLAHTR1AHTR1BMEN1
SCHEMBL10566130 0.83 ALDH1A1 (0.45) ALDH1A1GLAHTR1AHTR1BMEN1

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173144-B2 Adrenergic receptor modulating compounds and methods of using the same THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-11-16 US disclosed
US-20200237724-A1 ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-07-30 US disclosed
EP-3454845-A1 ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME The Board of Trustees of the Leland Stanford Junior University (US) 2019-03-20 EP disclosed
WO-2017197324-A1 ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-11-16 WO disclosed
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
US-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
US-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-6841563-B1 Aryloxy propanolamines for improving livestock production ELI LILLY AND COMPANY (US) 2005-01-11 US disclosed
US-6835733-B2 Useful for treating depression, anxiety, and alleviating the symptoms caused by withdrawal or partial withdrawal from tobacco or nicotine. ELI LILLY AND COMPANY 2004-12-28 US disclosed
US-5741789-A HETERO-OXY ALKANAMINES ELI LILLY AND COMPANY (US) 1998-04-21 US disclosed
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 EP disclosed
WO-1997048698-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1997-12-24 WO disclosed
US-5627196-A ANTIDEPRESSANTS AND ANTISEROTONIN AGENTS ELI LILLY AND COMPANY (US) 1997-05-06 US disclosed
EP-0764640-A1 Selective beta3 adrenergic agonists ELI LILLY AND COMPANY (US) 1997-03-26 EP disclosed
US-5614523-A INDOLYLOXY COMPOUNDS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5576321-A ALKOXY-SUBSTITUTED INDOLES ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
WO-1996022290-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
US-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 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 (2 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-20200237724-A1 ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME ADRB1, ADRB2, ADRA1B ALDH1A1 1787/4885GLA 2014/4885HTR1A 115/4885
US-11173144-B2 Adrenergic receptor modulating compounds and methods of using the same ADRB1, ADRB2, ADRA1B ALDH1A1 1787/4885GLA 2014/4885HTR1A 115/4885

“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.