SCHEMBL564328

SCHEMBL564328

ClCCc1cc(Cl)c(NC2=NCCN2)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.68
TSHR P16473 2/20 0.68
NFKB1 P19838 2/20 0.68
HIF1A Q16665 2/20 0.68
ALDH1A1 P00352 1/20 0.68
CYP3A4 P08684 1/20 0.68
LMNA P02545 5/20 0.67
RAD52 P43351 1/20 0.67
ADRA2A P08913 9/20 0.64
ADRA2B P18089 9/20 0.64
ADRA2C P18825 9/20 0.64
ADRA1A P35348 4/20 0.64
HTR1D P28221 4/20 0.64
ADRA1D P25100 3/20 0.64
ADRA1B P35368 3/20 0.64
NISCH Q9Y2I1 3/20 0.64
HTR1B P28222 3/20 0.64
CYP1A2 P05177 1/20 0.64
HSD17B10 Q99714 1/20 0.64
BLM P54132 3/20 0.62

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 SCHEMBL1322022 0.99 LMNA (0.69) CYP2D6TSHRNFKB1HIF1AALDH1A1
Hydrochloric Acid SCHEMBL7201422 0.99 LMNA (0.69) CYP2D6TSHRNFKB1HIF1AALDH1A1
Chloroethylclonidine SCHEMBL18154646 0.81 CYP2D6 (1.00) CYP2D6TSHRNFKB1HIF1AALDH1A1
SCHEMBL11180812 0.81 ADRA2A (0.76) CYP2D6TSHRNFKB1HIF1AALDH1A1
SCHEMBL24658874 0.78 ADRA2A (0.71) CYP2D6TSHRNFKB1HIF1AALDH1A1
Pi-Clonidine SCHEMBL563884 0.78 ADRA2A (1.00) CYP2D6TSHRNFKB1HIF1AALDH1A1
Apraclonidine SCHEMBL34128 0.78 ADRA2A (1.00) CYP2D6TSHRNFKB1HIF1AALDH1A1
SCHEMBL11761437 0.78 ADRA2C (0.71) CYP2D6TSHRNFKB1HIF1AALDH1A1
SCHEMBL10414088 0.78 ADRA2A (0.71) CYP2D6TSHRNFKB1HIF1AALDH1A1
Apraclonidine SCHEMBL1002875 0.77 BLM (1.00) CYP2D6TSHRNFKB1HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025034510-A1 ADRENERGIC ANTAGONISTS FOR USE IN A METHOD FOR TREATING CEREBRAL EDEMA OR A BRAIN INJURY UNIVERSITY OF ROCHESTER (US) 2025-02-13 WO claimed
US-10918629-B2 Method for treating lymphedema THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2021-02-16 US claimed
US-20200383978-A1 METHODS FOR INDUCING PUPIL DILATION THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2020-12-10 US claimed
EP-3706868-A1 METHODS FOR INDUCING PUPIL DILATION The Regents of the University of Colorado, a Body Corporate (US) 2020-09-16 EP claimed
EP-3407976-A1 COMPOSITIONS AND USES OF ALPHA-ADRENERGIC AGENTS Levation Pharma Ltd. (US) 2018-12-05 EP claimed
CN-108883308-A Compositions and uses of alpha-adrenergic agents 利维申制药有限公司 2018-11-23 CN claimed
US-20170333412-A1 METHOD FOR TREATING LYMPHEDEMA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-23 US claimed
WO-2017132410-A1 COMPOSITIONS AND USES OF ALPHA-ADRENERGIC AGENTS LITVACK FRANK (US) 2017-08-03 WO claimed
EP-2731606-A1 GEL COMPOSITIONS OF OXYMETAZOLINE AND METHODS OF USE Allergan, Inc. (US) 2014-05-21 EP claimed
CN-103796652-A Gel compositions of oxymetazoline and methods of use ALLERGAN INC 2014-05-14 CN claimed
US-20130079379-A1 GEL COMPOSITIONS OF OXYMETAZOLINE AND METHODS OF USE ALLERGAN, INC. (US) 2013-03-28 US claimed
WO-2013010032-A1 GEL COMPOSITIONS OF OXYMETAZOLINE AND METHODS OF USE ALLERGAN, INC. (US) 2013-01-17 WO claimed
US-7550466-B2 Alpha and/or β-adrenergic antagonists and agonists to treat pain SUN HEALTH RESEARCH INSTITUTE (US) 2009-06-23 US claimed
US-7462618-B2 Treatment of inflammatory autoimmune diseases with alpha-adrenergic antagonists and beta-adrenergic agonists SUN HEALTH RESEARCH INSTITUTE (US) 2008-12-09 US claimed
US-20080153830-A1 ALPHA AND/OR BETA-ADRENERGIC ANTAGONISTS AND AGONISTS TO TREAT PAIN SUN HEALTH RESEARCH INSTITUTE 2008-06-26 US claimed
EP-1109542-A4 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-03-26 EP claimed
US-20050049256-A1 Treatment of inflammatory autoimmune diseases with alpha-adrenergic antagonists and beta-adrenergic agonists SUN HEALTH RESEARCH INSTITUTE 2005-03-03 US claimed
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use GARVEY DAVID S (US) 2002-10-03 US claimed
EP-1109542-A1 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-06-27 EP claimed
WO-2000012075-A1 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-03-09 WO claimed

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-20130079379-A1 GEL COMPOSITIONS OF OXYMETAZOLINE AND METHODS OF USE CUTA, PDE3A, PTGIS CYP2D6 3309/4885TSHR 1159/4885NFKB1 2561/4885
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use ADRB1, ADRB3, ADRA1D CYP2D6 449/4885TSHR 1408/4885NFKB1 2131/4885

“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.