SCHEMBL348611

SCHEMBL348611

CCOC(=O)c1ccc(CCBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA12 O43570 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
LMNA P02545 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAOA P21397 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 4/20 0.51
HTT P42858 3/20 0.51
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
NAMPT P43490 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL9468569 0.95 CA12 (0.54) CA1CA2CA12CA7CA9
SCHEMBL6394479 0.90 CA12 (0.56) CA1CA2CA12CA7CA9
SCHEMBL3056656 0.90 CA12 (0.56) CA1CA2CA12CA7CA9
SCHEMBL12199135 0.89 CA1 (0.68) CA1CA2CA12CA7CA9
SCHEMBL245250 0.85 CA1 (0.63) CA1CA2CA12CA7CA9
SCHEMBL571227 0.85 CA1 (0.63) CA1CA2CA12CA7CA9
SCHEMBL10609210 0.84 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL6389650 0.84 CYP4A11 (0.64) CA1CA2CA12CA7CA9
SCHEMBL1244233 0.84 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL10901523 0.83 ESR1 (0.64) ESR1LMNACYP1A2CYP3A4SMN1; SMN2

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 66 patents — showing the first 20. 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
EP-2207776-B9 DRUG ACTIVE IN NEUROPATHIC PAIN ACRAF (IT) 2016-12-21 EP disclosed
EP-2207776-B1 DRUG ACTIVE IN NEUROPATHIC PAIN ACRAF (IT) 2016-08-17 EP disclosed
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2016-04-21 US disclosed
CN-105358559-A Pyrrolopyridine or pyrazolopyridine derivative HOFFMANN LA ROCHE 2016-02-24 CN disclosed
CN-105218565-A Spiral shell oxindole compounds and the purposes as therapeutical agent thereof XENON PHARMACEUTICALS INC 2016-01-06 CN disclosed
CN-105175433-A Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2015-12-23 CN disclosed
US-9199990-B2 Compounds for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2015-12-01 US disclosed
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS HIMMELSBACH FRANK 2006-11-02 US disclosed
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-14 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US disclosed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US disclosed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 US disclosed
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed
EP-0015155-B1 IMIDAZOLE THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR PREPARING THEM, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1983-02-23 EP disclosed
US-4083990-A ANTIPROSTAGLANDIN EFFECT HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-11 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 (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-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 CA1 4710/4885CA2 4395/4885CA12 4672/4885
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CA1 896/4885CA2 1018/4885CA12 1926/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CA1 1053/4885CA2 1054/4885CA12 1986/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 CA1 4710/4885CA2 4395/4885CA12 4672/4885
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 CA1 1053/4885CA2 1054/4885CA12 1986/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 CA1 4710/4885CA2 4395/4885CA12 4672/4885
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 CA1 4710/4885CA2 4395/4885CA12 4672/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CA1 896/4885CA2 1018/4885CA12 1926/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 CA1 1160/4885CA2 1699/4885CA12 2651/4885

“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.