SCHEMBL4284573

SCHEMBL4284573

CCN(CC)C[C@H](C)Nc1ccnc2cc(Cl)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.75
NR4A2 P43354 4/20 0.75
CHRM2 P08172 3/20 0.75
CHRM1 P11229 3/20 0.75
ADRA2C P18825 3/20 0.75
APP P05067 3/20 0.75
CYP2D6 P10635 3/20 0.75
CHRM4 P08173 2/20 0.75
CHRM5 P08912 2/20 0.75
ADRA2A P08913 2/20 0.75
ADRA2B P18089 2/20 0.75
CHRM3 P20309 2/20 0.75
TMEM97 Q5BJF2 2/20 0.75
SIGMAR1 Q99720 2/20 0.75
ACE2 Q9BYF1 2/20 0.75
CYP2C19 P33261 2/20 0.75
TDP1 Q9NUW8 1/20 0.75
PRNP P04156 1/20 0.75
NQO2 P16083 1/20 0.75
MTOR P42345 1/20 0.75

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
SCHEMBL4281066 1.00 KCNH2 (0.75) KCNH2NR4A2CHRM2CHRM1ADRA2C
SCHEMBL4281551 1.00 KCNH2 (0.75) KCNH2NR4A2CHRM2CHRM1ADRA2C
SCHEMBL15476136 0.88 NR4A2 (0.68) KCNH2NR4A2CHRM2CHRM1ADRA2C
SCHEMBL4285934 0.87 NR4A2 (0.67) KCNH2NR4A2CHRM2CHRM1ADRA2C
SCHEMBL4290032 0.87 NR4A2 (0.67) KCNH2NR4A2CHRM2CHRM1ADRA2C
SCHEMBL4285928 0.87 NR4A2 (0.67) KCNH2NR4A2CHRM2CHRM1ADRA2C
Chloroquine SCHEMBL8933 0.86 CHRM2 (1.00) KCNH2NR4A2CHRM2CHRM1ADRA2C
Chloroquine SCHEMBL29363614 0.86 CHRM2 (1.00) KCNH2NR4A2CHRM2CHRM1ADRA2C
(R)-Chloroquine SCHEMBL29429108 0.86 CHRM2 (1.00) KCNH2NR4A2CHRM2CHRM1ADRA2C
Chloroquine SCHEMBL8934 0.86 CHRM2 (1.00) KCNH2NR4A2CHRM2CHRM1ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014786-A1 Opthalmic pharmaceutical compositions and methods for treating ocular inflammation RAUT RAJEEV 2006-01-19 US claimed
EP-0656353-B1 Aminochinoline derivates useful in the treatment of malaria HOFFMANN LA ROCHE (CH) 1998-06-03 EP claimed
EP-0656353-A1 Aminochinoline derivates useful in the treatment of malaria F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 EP claimed
US-20230416786-A1 USE OF AMINOQUINOLINE COMPOUNDS FOR HIGHER GENE INTEGRATION CELLECTIS SA (FR) 2023-12-28 US disclosed
US-9073985-B2 Methods and products for treating proliferative diseases THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-07-07 US disclosed
US-8440695-B2 Use of chloroquine to treat metabolic syndrome ST JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2013-05-14 US disclosed
US-20110318335-A1 METHODS AND PRODUCTS FOR TREATING PROLIFERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2011-12-29 US disclosed
US-20090099134-A1 TREATMENT OF DNA DAMAGE RELATED DISORDERS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2009-04-16 US disclosed
US-20080319010-A1 Use of Chloroquine to Treat Metabolic Syndrome ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2008-12-25 US disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-20060241139-A1 Treatment of DNA damage related disorders ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2006-10-26 US disclosed
US-7084157-B2 Ophthalmic pharmaceutical compositions and methods for treating ocular inflammation RAUT RAJEEV 2006-08-01 US disclosed
US-20060014786-A1 Opthalmic pharmaceutical compositions and methods for treating ocular inflammation RAUT RAJEEV 2006-01-19 US disclosed
US-20050124653-A1 Treatment of dna damage related disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-09 US disclosed
US-20050032834-A1 Treatment of DNA damage related disorders ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2005-02-10 US disclosed
US-20050014785-A1 Treatment of radiation disorders PERLEGEN SCIENCES, INC. (US) 2005-01-20 US disclosed
WO-2004050837-A2 TREATMENT OF DNA DAMAGE RELATED DISORDERS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2004-06-17 WO disclosed
EP-0656353-B1 Aminochinoline derivates useful in the treatment of malaria HOFFMANN LA ROCHE (CH) 1998-06-03 EP disclosed
EP-0656353-A1 Aminochinoline derivates useful in the treatment of malaria F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 EP 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 (10 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-20050014785-A1 Treatment of radiation disorders XRCC5, XRCC6, QTRT1 KCNH2 4378/4885NR4A2 2599/4885CHRM2 4278/4885
US-20090099134-A1 TREATMENT OF DNA DAMAGE RELATED DISORDERS BRCA1, ERCC4, POLN KCNH2 4711/4885NR4A2 2195/4885CHRM2 4789/4885
US-20050124653-A1 Treatment of dna damage related disorders ERCC1, ERCC5, ERCC2 KCNH2 4137/4885NR4A2 3241/4885CHRM2 4693/4885
US-20110318335-A1 METHODS AND PRODUCTS FOR TREATING PROLIFERATIVE DISEASES BECN1, G6PD, KDR KCNH2 3622/4885NR4A2 3362/4885CHRM2 4511/4885
US-20060014786-A1 Opthalmic pharmaceutical compositions and methods for treating ocular inflammation AQP4, IL5, CCL11 KCNH2 2419/4885NR4A2 435/4885CHRM2 653/4885
US-20050032834-A1 Treatment of DNA damage related disorders BRCA1, ERCC4, POLN KCNH2 4711/4885NR4A2 2195/4885CHRM2 4789/4885
US-20080319010-A1 Use of Chloroquine to Treat Metabolic Syndrome NPC1L1, ECHS1, PCSK9 KCNH2 4174/4885NR4A2 3782/4885CHRM2 2810/4885
US-20230416786-A1 USE OF AMINOQUINOLINE COMPOUNDS FOR HIGHER GENE INTEGRATION ERCC4, LIG4, LIG3 KCNH2 4314/4885NR4A2 2104/4885CHRM2 4834/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN KCNH2 2190/4885NR4A2 2911/4885CHRM2 1805/4885
US-20060241139-A1 Treatment of DNA damage related disorders BRCA1, ERCC4, POLN KCNH2 4711/4885NR4A2 2195/4885CHRM2 4789/4885

“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.