SCHEMBL625373

SCHEMBL625373

c1ccc(CCCNCCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 1.00
DRD2 P14416 1/20 0.66
DRD4 P21917 1/20 0.66
DRD3 P35462 1/20 0.66
KCNH2 Q12809 1/20 0.66

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
SCHEMBL4254894 0.95 SIGMAR1 (1.00) SIGMAR1DRD2DRD4DRD3KCNH2
SCHEMBL8084143 0.93 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9768701 0.93 SIGMAR1 (0.86) SIGMAR1KCNH2
SCHEMBL2538905 0.93 SIGMAR1 (0.95) SIGMAR1DRD2DRD4DRD3KCNH2
SCHEMBL10453660 0.93 SIGMAR1 (0.91) SIGMAR1DRD3KCNH2
SCHEMBL8091327 0.91 SIGMAR1 (1.00) SIGMAR1
SCHEMBL7369457 0.91 SIGMAR1 (1.00) SIGMAR1
SCHEMBL20689719 0.91 SIGMAR1 (0.91) SIGMAR1DRD3KCNH2
SCHEMBL7272554 0.91 SIGMAR1 (0.91) SIGMAR1DRD3KCNH2
SCHEMBL8092310 0.91 SIGMAR1 (0.95) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 EP claimed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US claimed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO claimed
US-11161827-B2 Catalytic systems for stereoselective synthesis of chiral amines by enantiodivergent radical C—H amination THE TRUSTEES OF BOSTON COLLEGE (MA) 2021-11-02 US disclosed
US-11161827-B2 Catalytic systems for stereoselective synthesis of chiral amines by enantiodivergent radical C—H amination THE TRUSTEES OF BOSTON COLLEGE (MA) 2021-11-02 US disclosed
US-20200317627-A1 CATALYTIC SYSTEMS FOR STEREOSELECTIVE SYNTHESIS OF CHIRAL AMINES BY ENANTIODIVERGENT RADICAL C-H AMINATION TRUSTEES OF BOSTON COLLEGE (US) 2020-10-08 US disclosed
US-20200317627-A1 CATALYTIC SYSTEMS FOR STEREOSELECTIVE SYNTHESIS OF CHIRAL AMINES BY ENANTIODIVERGENT RADICAL C-H AMINATION TRUSTEES OF BOSTON COLLEGE (US) 2020-10-08 US disclosed
EP-1957507-B1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS IONIS PHARMACEUTICALS INC (US) 2018-10-24 EP disclosed
US-8569264-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
WO-2013022763-A1 GLYCOPEPTIDE ANTIBIOTIC ANALOGS EFFECTIVE AGAINST VANCOMYCIN-RESISTANT BACTERIAL STRAINS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-02-14 WO disclosed
US-20080045468-A1 ANTIMICROBIAL 2-DEOXYSTREPTAMINE COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2008-02-21 US disclosed
EP-1809645-A1 ANTIMICROBIAL 2-DEOXYSTREPTAMINE COMPOUNDS Isis Pharmaceuticals, Inc. (US) 2007-07-25 EP disclosed
WO-2007064954-A2 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed
WO-2006052930-A1 ANTIMICROBIAL 2-DEOXYSTREPTAMINE COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
US-5663148-A ANTIINFLAMMATORY AGENTS OF OLIGOPEPTIDES FOR BACTERICIDES, FUNGICIDES, ANTICARCINOGENIC AGENTS, VIRICIDES OR AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 1997-09-02 US disclosed
WO-1997023202-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITYA ND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-07-03 WO disclosed
WO-1994007815-A2 SMALL PEPTIDE ANAPHYLATOXIN RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 1994-04-14 WO disclosed
WO-1994007518-A1 ANAPHYLATOXIN RECEPTOR LIGANDS CONTAINING LIPOPHILIC RESIDUES ABBOTT LABORATORIES (US) 1994-04-14 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-11161827-B2 Catalytic systems for stereoselective synthesis of chiral amines by enantiodivergent radical C—H amination STS, SRM, SCLY SIGMAR1 249/4885DRD2 236/4885DRD4 134/4885
US-20080045468-A1 ANTIMICROBIAL 2-DEOXYSTREPTAMINE COMPOUNDS MTAP, UNG, PNMT SIGMAR1 802/4885DRD2 27/4885DRD4 47/4885
US-20200317627-A1 CATALYTIC SYSTEMS FOR STEREOSELECTIVE SYNTHESIS OF CHIRAL AMINES BY ENANTIODIVERGENT RADICAL C-H AMINATION STS, SCLY, SRM SIGMAR1 240/4885DRD2 247/4885DRD4 140/4885

“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.