SCHEMBL4891437

SCHEMBL4891437

Cc1cc2c(OCC3CO3)cccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
GLA P06280 1/20 0.55
LMNA P02545 1/20 0.48
HTR1A P08908 12/20 0.48
SLC6A2 P23975 2/20 0.48
ABCB11 O95342 1/20 0.48
ADRA2A P08913 1/20 0.48
PTGS1 P23219 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A4 P31645 4/20 0.43
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43

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
SCHEMBL4891430 1.00 ALDH1A1 (0.55) ALDH1A1GLALMNAHTR1ASLC6A2
SCHEMBL4900583 1.00 ALDH1A1 (0.55) ALDH1A1GLALMNAHTR1ASLC6A2
SCHEMBL9539022 0.84 ALDH1A1 (0.49) ALDH1A1GLALMNAHTR1ASLC6A2
SCHEMBL10594378 0.82 ALDH1A1 (0.45) ALDH1A1GLALMNAHTR1ASLC6A2
SCHEMBL11449804 0.82 ALDH1A1 (0.47) ALDH1A1GLALMNAHTR1ASLC6A2
SCHEMBL11457360 0.81 RHEB (0.51) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL4386345 0.81 ADRB2 (0.50) ALDH1A1GLALMNAHTR1ATP53
SCHEMBL10924568 0.81 ADRB2 (0.50) ALDH1A1GLALMNAHTR1ATP53
SCHEMBL9588071 0.80 ALDH1A1 (0.45) ALDH1A1GLALMNATP53SMN1; SMN2
SCHEMBL5585050 0.79 SRD5A2 (0.62) ALDH1A1GLALMNATP53CYP3A4

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 21 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-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
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
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2013-12-12 US disclosed
US-8530475-B2 Serotonin reuptake inhibitors and antagonists of the serotonin 1A receptor; compounds are based on 7,9-diazabicyclo(4.2.2)dec-3-ene ring JANSSEN PHARMACEUTICA NV 2013-09-10 US disclosed
US-20080070919-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS CREIGHTON CHRISTOPHER J 2008-03-20 US 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-20040006229-A1 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY 2004-01-08 US disclosed
EP-1242419-A1 AZABICYCLO 3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2001046187-A1 AZABICYCLO[3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046181-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
US-4229464-A Aminopropanol substituted indole compounds and compositions for the treatment of cardiac and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1980-10-21 US disclosed
US-4152446-A Aminopropanol compounds and compositions for the treatment of cardiac and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1979-05-01 US disclosed
US-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 US disclosed
US-4080463-A TREATMENT OF CORONARY DISORDERS, ANTIARRHYTHMIA SANDOZ LTD. (CH) 1978-03-21 US disclosed
US-4076829-A Aminopropanol compounds and compositions for the treatment of cardiac and circulatory diseases BOEHRINGER MANNHEIM GMBH (DT) 1978-02-28 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 (5 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-20080070919-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 ALDH1A1 66/4885GLA 3840/4885LMNA 2932/4885
US-20200237724-A1 ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME ADRB1, ADRB2, ADRA1B ALDH1A1 1787/4885GLA 2014/4885LMNA 2267/4885
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 ALDH1A1 66/4885GLA 3840/4885LMNA 2932/4885
US-20040006229-A1 Indole derivatives for the treatment of depression and anxiety IDO1, TPH1, IDO2 ALDH1A1 101/4885GLA 1526/4885LMNA 3706/4885
US-11173144-B2 Adrenergic receptor modulating compounds and methods of using the same ADRB1, ADRB2, ADRA1B ALDH1A1 1787/4885GLA 2014/4885LMNA 2267/4885

“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.