SCHEMBL3290708

SCHEMBL3290708

CN1CCCCCC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
CNR2 P34972 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
REN P00797 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
F2 P00734 1/20 0.39
LTA4H P09960 1/20 0.39
MAPT P10636 1/20 0.39
PEPD P12955 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2A P28223 1/20 0.39
PTGS2 P35354 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL58093 0.98 ACE (0.42) ACEALDH1A1HTTCNR2CYP3A4
SCHEMBL53552 0.98 ACE (0.42) ACEALDH1A1HTTCNR2CYP3A4
SCHEMBL2737878 0.98 ACE (0.42) ACEALDH1A1HTTCNR2CYP3A4
Iodide SCHEMBL30988382 0.96 ACE (0.41) ACEALDH1A1HTTCNR2CYP3A4
Hydrochloric Acid SCHEMBL927104 0.96 ACE (0.41) ACEALDH1A1HTTCNR2CYP3A4
Hydrochloric Acid SCHEMBL5428339 0.96 ACE (0.41) ACEALDH1A1HTTCNR2CYP3A4
Hydrochloric Acid SCHEMBL1190625 0.96 ACE (0.41) ACEALDH1A1HTTCNR2CYP3A4
Ethane SCHEMBL28133736 0.96 ACE (0.41) ACEALDH1A1HTTCNR2CYP3A4
SCHEMBL77336 0.91
SCHEMBL145545 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836290-A Synthesis method of bilirubin 株式会社毕丽斯 2024-04-05 CN claimed
CN-117813301-A Synthesis method of bilirubin 株式会社毕丽斯 2024-04-02 CN claimed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
CN-101001860-A Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (CH) 2007-07-18 CN claimed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed
CN-117881673-A Synthesis method of bilirubin 株式会社毕丽斯 2024-04-12 CN disclosed
CN-117836290-A Synthesis method of bilirubin 株式会社毕丽斯 2024-04-05 CN disclosed
CN-117813301-A Synthesis method of bilirubin 株式会社毕丽斯 2024-04-02 CN disclosed
WO-2022250170-A9 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-01-05 WO disclosed
EP-3466944-B1 NICOTINYL ALCOHOL ETHER DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USES THEREOF INST MATERIA MEDICA CAMS (CN) 2022-06-15 EP disclosed
EP-3450423-B1 BENZYL PHENYL ETHER DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USES THEREOF INST MATERIA MEDICA CAMS (CN) 2022-06-15 EP disclosed
US-10975049-B2 Nicotinyl alcohol ether derivative, preparation method therefor, and pharmaceutical composition and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2021-04-13 US disclosed
US-20170075218-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-03-16 US disclosed
US-7714018-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
CN-101001860-A Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (CH) 2007-07-18 CN disclosed
US-20070117859-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-05-24 US disclosed
US-7164019-B2 Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC ROCHE PALO ALTO LLC (US) 2007-01-16 US disclosed
US-20060014767-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-01-19 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 (3 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-10975049-B2 Nicotinyl alcohol ether derivative, preparation method therefor, and pharmaceutical composition and uses thereof CD274, PDCD1, PDCD1LG2 ACE 2798/4885ALDH1A1 107/4885HTT 3882/4885
US-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 ACE 717/4885ALDH1A1 1773/4885HTT 2917/4885
US-20070117859-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 ACE 717/4885ALDH1A1 1773/4885HTT 2917/4885

“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.