SCHEMBL446368

SCHEMBL446368

[CH2]CCC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
LMNA P02545 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
NR4A2 P43354 1/20 0.64
MAPK1 P28482 3/20 0.59
ALDH1A1 P00352 3/20 0.59
USP2 O75604 1/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
CES1 P23141 1/20 0.58
HDAC1 Q13547 5/20 0.57

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
SCHEMBL10437685 0.87 SMN1; SMN2 (0.69) MAPTTDP1LMNAL3MBTL1ALDH1A1
SCHEMBL443844 0.86 TDP1 (0.72) MAPTTDP1LMNAL3MBTL1NR4A2
SCHEMBL30121738 0.85 NR4A2 (0.85) MAPTTDP1LMNAL3MBTL1NR4A2
SCHEMBL719034 0.85 NR4A2 (0.85) MAPTTDP1LMNAL3MBTL1NR4A2
SCHEMBL55019 0.85 TDP1 (0.76) MAPTTDP1LMNAL3MBTL1NR4A2
SCHEMBL17707227 0.83 TDP1 (0.80) MAPTTDP1LMNAL3MBTL1NR4A2
SCHEMBL3476170 0.83 TDP1 (0.80) MAPTTDP1LMNAL3MBTL1NR4A2
SCHEMBL8206495 0.83 TDP1 (0.80) MAPTTDP1LMNAL3MBTL1NR4A2
SCHEMBL443400 0.83 TDP1 (0.80) MAPTTDP1LMNAL3MBTL1NR4A2
SCHEMBL27343327 0.82 MMP1 (0.64) MAPTTDP1LMNAL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294699-B1 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORP (US) 2016-04-13 EP claimed
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 US claimed
US-7893087-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-22 US claimed
US-7879874-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-01 US claimed
US-20100234332-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME PRAT QUINONES MARIA 2010-09-16 US claimed
US-20070129398-A1 Novel quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2007-06-07 US claimed
US-20070129420-A1 New pyrrolidinium derivatives ALMIRALL PRODESFARMA SA 2007-06-07 US claimed
US-20070105897-A1 Novel quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2007-05-10 US claimed
US-7122558-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL PRODESFARMA AG (CH) 2006-10-17 US claimed
EP-1353919-B1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2006-07-26 EP claimed
US-5318966-A Administering the enzyme inhibitor for treating alzheimer's disease, learning enhancement, brain disorders HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US claimed
US-5318967-A Cognition activators for alzheimer's disease, learning enhancement HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US claimed
EP-0548664-A1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP claimed
EP-0035820-B1 NOVEL QUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHOD FOR THE PREPARATION OF THESE COMPOUNDS ACF CHEMIEFARMA NV (NL) 1984-10-10 EP claimed
US-4442106-A HYPOTENSIVE, ANTIARRHYTHMIA ACF CHEMIEFARMA N.V. (NL) 1984-04-10 US claimed
EP-0099303-A2 Benzothiopyranopyridinones and their salts, their preparation and use as medicaments, and compositions containing them ROUSSEL-UCLAF (FR) 1984-01-25 EP claimed
EP-0035820-A2 Novel quinoline derivatives, pharmaceutical compositions containing such compounds, and method for the preparation of these compounds ACF CHEMIEFARMA NV (NL) 1981-09-16 EP claimed
US-4097665-A Diacylnucleosides and process for preparing the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-27 US claimed
US-4022786-A PHARMACEUTICALS, CNS STIMULANT BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-05-10 US claimed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070129420-A1 New pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 MAPT 2792/4885TDP1 2806/4885LMNA 4257/4885
US-20070129398-A1 Novel quinuclidine derivatives and medicinal compositions containing the same NR0B1, NR2C2, NR1I3 MAPT 4450/4885TDP1 4240/4885LMNA 3397/4885
US-20100234332-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NR0B1, NR4A1, NR0B2 MAPT 4249/4885TDP1 4289/4885LMNA 3455/4885
US-20070105897-A1 Novel quinuclidine derivatives and medicinal compositions containing the same NR0B1, NR4A1, NR0B2 MAPT 4380/4885TDP1 4164/4885LMNA 3282/4885

“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.