SCHEMBL1304918

SCHEMBL1304918

COc1cc(OC)c2cnc(-c3ccc(N4CCOCC4)cc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 5/20 0.52
▸ TRPM8 Q7Z2W7 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ FGFR2 P21802 1/20 0.48
▸ FGFR3 P22607 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ APP P05067 1/20 0.47
▸ TLR9 Q9NR96 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ PIK3CA P42336 1/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TGFBR1 P36897 1/20 0.45
▸ ACVR1 Q04771 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL30459652 0.89 TGFBR1 (0.54) TGFBR1ACVR1ABL1PIM1IL2
SCHEMBL15328156 0.89 TGFBR1 (0.54) TGFBR1ACVR1ABL1PIM1IL2
SCHEMBL15329363 0.85 SMN1; SMN2 (0.51) GAKALDH1A1HTTHSD17B10MAP4K1
SCHEMBL15328365 0.85 CHRNB2 (0.51) TGFBR1ACVR1IL2MAP4K1
SCHEMBL618561 0.83 MAP4K1 (0.49) MTORFGFR2FGFR3TLR9TGFBR1
SCHEMBL615975 0.82 EHMT2 (0.40) MTORALDH1A1HPGDFGFR2FGFR3
SCHEMBL1304390 0.82 PDGFRB (0.51) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL617761 0.82 TGFBR1 (0.48) ALDH1A1HPGDFGFR2FGFR3KDM4E
SCHEMBL619713 0.80 ACHE (0.49) ALDH1A1HPGDKDM4EMAPTNTSR1
SCHEMBL618467 0.80 MEN1 (0.49) ALDH1A1HPGDKDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2021-11-25 — — US disclosed
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2020-11-12 — — US disclosed
US-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2018-04-19 — — US disclosed
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2016-04-21 — — US disclosed
US-9199990-B2 Compounds for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2015-12-01 — — US disclosed
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (US) 2015-03-12 — — US disclosed
US-8053440-B2 Compounds for the prevention and treatment of cardiovascular diseases Resverlogix Corporation (CA) 2011-11-08 — — US disclosed
US-20080188467-A1 To regulate the expression of apolipoprotein A-I; atherosclerosis; improved pharmacological properties; 3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxyisoquinolin-1(2H)-one; to reduce cholesterol levels; agonists HEPALINK (HONG KONG) LIMITED (HK) 2008-08-07 — — 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 (6 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-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 MTOR 2676/4885TRPM8 3204/4885GAK 1561/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 MTOR 2676/4885TRPM8 3204/4885GAK 1561/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 MTOR 2676/4885TRPM8 3204/4885GAK 1561/4885
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 MTOR 2676/4885TRPM8 3204/4885GAK 1561/4885
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 MTOR 2676/4885TRPM8 3204/4885GAK 1561/4885
US-20080188467-A1 To regulate the expression of apolipoprotein A-I; atherosclerosis; improved pharmacological properties; 3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxyisoquinolin-1(2H)-one; to reduce cholesterol levels; agonists APOB, LDLR, APOL1 MTOR 4509/4885TRPM8 2708/4885GAK 2895/4885

“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.

Send feedback