SCHEMBL414741

SCHEMBL414741

CN1CCCCCCCCC1

nearest known ligand 0.91

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.36
MGLL Q99685 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.32
NCF1 P14598 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
HRH4 Q9H3N8 2/20 0.31
CHKA P35790 1/20 0.31
PHGDH O43175 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18807723 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
SCHEMBL11138954 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
SCHEMBL12316976 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
SCHEMBL20124473 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
N-Methylpiperidine SCHEMBL1920 1.00
N-Methylpiperidine SCHEMBL6660565 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
SCHEMBL3793955 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
SCHEMBL12952612 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
SCHEMBL21960469 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
N-Methylpiperidine SCHEMBL11736662 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024009191-A1 PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2024-01-11 WO disclosed
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
EP-4257191-A2 HETEROCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2023-10-11 EP disclosed
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-05 US disclosed
EP-3472149-B1 HETEROCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2023-08-30 EP disclosed
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 US disclosed
US-11690843-B2 2023-07-04 US disclosed
US-20230141435-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-05-11 US disclosed
WO-2023061457-A1 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF 百奥泰生物制药股份有限公司 2023-04-20 WO disclosed
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 US disclosed
US-8153805-B2 Biaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
US-20120031422-A9 FLUORESCENT ENTITY, DYEING COMPOSITION CONTAINING AT LEAST ONE FLUORESCENT ENTITY COMPRISING AT LEAST ONE HETEROCYCLE, WITH AT LEAST ONE INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID AT LEAST ONE FLUORESCENT ENTITY L'OREAL S.A. (FR) 2012-02-09 US disclosed
EP-2412711-A1 INDAZOLEPROPIONIC ACID AMIDE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-01 EP disclosed
WO-2011081937-A1 CORTICOSTEROID-BETA-AGONIST-MUSCARINIC ANTAGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2011-07-07 WO disclosed
US-20110011417-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING A HETEROCYCLE,AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL S.A. (FR) 2011-01-20 US disclosed
US-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 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 (9 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-11690843-B2 FGFR3, FGFR1, FGFR4 HRH3 2419/4885LMNA 4467/4885MGLL 3251/4885
US-20120031422-A9 FLUORESCENT ENTITY, DYEING COMPOSITION CONTAINING AT LEAST ONE FLUORESCENT ENTITY COMPRISING AT LEAST ONE HETEROCYCLE, WITH AT LEAST ONE INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID AT LEAST ONE FLUORESCENT ENTITY KRT18, KRTCAP2, DSG1 HRH3 1148/4885LMNA 916/4885MGLL 4737/4885
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 HRH3 4599/4885LMNA 3314/4885MGLL 839/4885
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF VHL, MDM2, NEDD4 HRH3 2725/4885LMNA 3421/4885MGLL 4589/4885
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 HRH3 121/4885LMNA 2533/4885MGLL 1855/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HRH3 3631/4885LMNA 1656/4885MGLL 1244/4885
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 HRH3 3641/4885LMNA 1476/4885MGLL 3508/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 HRH3 286/4885LMNA 3390/4885MGLL 3746/4885
US-20110011417-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING A HETEROCYCLE,AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE KRT18, CYBA, KRTCAP2 HRH3 555/4885LMNA 1585/4885MGLL 4793/4885

“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.