SCHEMBL71513

SCHEMBL71513

O=C(O)C1c2ccccc2Cc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
HTR2A P28223 9/20 0.50
HRH1 P35367 5/20 0.45
HTR2C P28335 1/20 0.45
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ANPEP P15144 2/20 0.44
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ACE P12821 1/20 0.41
EDNRA P25101 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL3879203 0.87 TSHR (0.53) HDAC4HDAC7HDAC5HTR2AHTR2C
SCHEMBL6045078 0.86 ANPEP (0.53) HDAC4HDAC7HDAC5HTR2AHRH1
Hydrochloric Acid SCHEMBL11492466 0.85 TSHR (0.56) HDAC4HDAC7HDAC5HTR2AHTR2C
SCHEMBL71512 0.83 HDAC4 (0.63) HDAC4HDAC7HDAC5HTR2AHRH1
SCHEMBL3360436 0.81 HDAC4 (0.49) HDAC4HDAC7HDAC5HTR2AHRH1
SCHEMBL10355854 0.81 EDNRA (0.50) HDAC4HDAC7HDAC5TSHRNPSR1
SCHEMBL11527593 0.81 EDNRA (0.50) HDAC4HDAC7HDAC5TSHRNPSR1
SCHEMBL15075053 0.81 ALDH1A1 (0.62) HDAC4HDAC7HDAC5HTR2AHRH1
SCHEMBL5756266 0.81 HDAC4 (0.61) HDAC4HDAC7HDAC5HTR2AHRH1
SCHEMBL13005577 0.81 HDAC4 (0.61) HDAC4HDAC7HDAC5HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US claimed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP claimed
EP-1303499-B1 TETRAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-07-12 EP claimed
CN-1214017-C Tetrazole derivatives HOFFMANN LA ROCHE (CH) 2005-08-10 CN claimed
CN-1441791-A Tetrazole derivatives HOFFMANN LA ROCHE (CH) 2003-09-10 CN claimed
EP-1303499-A1 TETRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP claimed
US-6399641-B1 FOR THERAPY AND PROPHYLAXIS OF PSYCHOSIS, SCHIZOPHRENIA, ALZHEIMER'S DISEASE, COGNITIVE DISORDERS AND RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES ETC. HOFFMANN-LA ROCHE INC. 2002-06-04 US claimed
US-20020022648-A1 Novel 2H-tetrazole-amide compounds with therapeutic activity as metabotropic glutamate receptor agonists HOFFMANN-LA ROCHE INC. 2002-02-21 US claimed
WO-2002006254-A1 TETRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO claimed
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2020-03-17 US disclosed
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL SA (ES) 2019-06-20 US disclosed
US-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2018-07-31 US disclosed
US-20170319557-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2017-11-09 US disclosed
US-9687478-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2017-06-27 US disclosed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 EP disclosed
WO-2001004118-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR LIGANDS ALMIRALL PRODESFARMA S.A. (ES) 2001-01-18 WO disclosed
WO-1997006178-A1 PYRIMIDINE NUCLEOSIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-02-20 WO disclosed
US-5101059-A Xanthene compounds RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-03-31 US disclosed
WO-1991008190-A1 AMINO ACID PROTECTING GROUPS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-06-13 WO disclosed
US-4152356-A SELECTIVE CARBONYLATION OF 9,10-DIHYDROANTHRACENE TO FORM 9-FORMYL-9,10-DIHYDROANTHRACENE EXXON RESEARCH & ENGINEERING CO. (US) 1979-05-01 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-20080214600-A1 Quaternized Quinuclidine Esters NQO2, QPCT, QARS1 HDAC4 1486/4885HDAC7 1742/4885HDAC5 953/4885
US-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 HDAC4 2639/4885HDAC7 2989/4885HDAC5 2242/4885
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRNB1, ARRB1 HDAC4 3130/4885HDAC7 3120/4885HDAC5 2588/4885
US-20170319557-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 HDAC4 2431/4885HDAC7 2773/4885HDAC5 1961/4885
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same CHRM3, QDPR, CHRM2 HDAC4 3333/4885HDAC7 3127/4885HDAC5 2587/4885
US-20020022648-A1 Novel 2H-tetrazole-amide compounds with therapeutic activity as metabotropic glutamate receptor agonists GRM1, GRM3, GRM2 HDAC4 929/4885HDAC7 541/4885HDAC5 670/4885

“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.