SCHEMBL11941565

SCHEMBL11941565

CCc1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.77
KDM4E B2RXH2 5/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
HTT P42858 1/20 0.64
LTA4H P09960 1/20 0.59
TSHR P16473 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TP53 P04637 1/20 0.58
NPC1 O15118 2/20 0.56
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
HTR2A P28223 1/20 0.54
MAPK1 P28482 1/20 0.54
SCN1A P35498 1/20 0.54
HTR2B P41595 1/20 0.54
KCNH2 Q12809 1/20 0.54
SCN2A Q99250 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
SCN3A Q9NY46 1/20 0.54

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
SCHEMBL13185215 0.93 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HTTTSHR
SCHEMBL305458 0.87 KDM4E (1.00) ALDH1A1KDM4ESMN1; SMN2HTTLTA4H
SCHEMBL3646083 0.86 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2HTTLTA4H
SCHEMBL109617 0.86 LTA4H (0.59) ALDH1A1KDM4ESMN1; SMN2HTTLTA4H
SCHEMBL3645465 0.86 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2HTTLTA4H
SCHEMBL13766268 0.86 KDM4E (0.97) ALDH1A1KDM4ESMN1; SMN2HTTLTA4H
SCHEMBL14970709 0.86 KDM4E (0.97) ALDH1A1KDM4ESMN1; SMN2HTTLTA4H
SCHEMBL248444 0.85 LTA4H (0.59) ALDH1A1KDM4ESMN1; SMN2HTTLTA4H
SCHEMBL14578276 0.85 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2HTTLTA4H
SCHEMBL26986155 0.85 KDM4E (0.75) ALDH1A1KDM4ESMN1; SMN2HTTLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234959-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-07-27 US disclosed
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis THE GENERAL HOSPITAL CORPORATION (US) 2022-02-08 US disclosed
US-20200179387-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS FOR TREATING OSTEOPOROSIS THE GENERAL HOSPITAL CORPORATION (US) 2020-06-11 US disclosed
US-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-10-20 US disclosed
US-9365519-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2016-06-14 US disclosed
US-9296737-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9212181-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-15 US disclosed
US-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-09-10 US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-06-27 US disclosed
US-7879835-B2 treating osteoporosis, comprising administering drugs such as (E)-methyl 2-(2-((4-octylphenoxy)methyl)-3-methoxyacrylate, which inhibit osteoclast formation or resorption activity; side effect reduction KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-02-01 US disclosed
US-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-10-07 US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20080280901-A1 Pharmaceutical Composition for Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyacrylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-13 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 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 (11 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885KDM4E 3792/4885SMN1; SMN2 2352/4885
US-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885KDM4E 3792/4885SMN1; SMN2 2352/4885
US-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ALDH1A1 2460/4885KDM4E 36/4885SMN1; SMN2 952/4885
US-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives ARSA, BMP2, BMP1 ALDH1A1 721/4885KDM4E 1873/4885SMN1; SMN2 1743/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885KDM4E 3792/4885SMN1; SMN2 2352/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 ALDH1A1 1821/4885KDM4E 4091/4885SMN1; SMN2 4552/4885
US-20200179387-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS FOR TREATING OSTEOPOROSIS SOST, SIK2, SIK1 ALDH1A1 4790/4885KDM4E 1613/4885SMN1; SMN2 3838/4885
US-20080280901-A1 Pharmaceutical Composition for Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyacrylate Derivatives CYP24A1, SOST, ACP3 ALDH1A1 537/4885KDM4E 2169/4885SMN1; SMN2 2523/4885
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis SOST, SIK2, SIK1 ALDH1A1 4790/4885KDM4E 1613/4885SMN1; SMN2 3838/4885
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885KDM4E 3792/4885SMN1; SMN2 2352/4885
US-20230234959-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF SIK1, SIK2, SIK3 ALDH1A1 3729/4885KDM4E 3066/4885SMN1; SMN2 1119/4885

“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.