SCHEMBL72244

SCHEMBL72244

[CH2]CCSc1nccn1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 2/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
POLB P06746 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ALPL P05186 1/20 0.42
ALPG P10696 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 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
SCHEMBL7814833 0.89 KDM4E (0.48) KDM4EKMT2ARAB9ANPC1POLB
SCHEMBL4794720 0.84
SCHEMBL15219972 0.82 KDM4E (0.51) KDM4EKMT2ARAB9ANPC1POLB
SCHEMBL9046684 0.81 KDM4E (0.50) KDM4EKMT2ARAB9ANPC1POLB
SCHEMBL9044947 0.81 KDM4E (0.50) KDM4EKMT2ARAB9ANPC1POLB
SCHEMBL7455902 0.81 KDM4E (0.50) KDM4EKMT2ARAB9ANPC1POLB
SCHEMBL422525 0.79 KDM4E (0.49) KDM4EKMT2ARAB9ANPC1POLB
Hydrochloric Acid SCHEMBL7459670 0.79 KDM4E (0.49) KDM4EKMT2ARAB9ANPC1POLB
Hydrochloric Acid SCHEMBL8907355 0.79 KDM4E (0.49) KDM4EKMT2ARAB9ANPC1POLB
SCHEMBL21944775 0.78 KDM4E (0.48) KDM4EKMT2ARAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-RE46417-E1 Quinuclidine derivatives and their use as muscarinic M3 receptor ligands ALMIRALL, S.A. (ES) 2017-05-30 US disclosed
US-20160296503-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2016-10-13 US disclosed
US-9333195-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2016-05-10 US disclosed
US-20150246026-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2015-09-03 US disclosed
EP-1200431-B3 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTORS LIGANDS ALMIRALL SA (ES) 2015-06-24 EP disclosed
WO-2002053564-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-11 WO disclosed
WO-2002051841-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-04 WO disclosed
EP-1200431-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR LIGANDS Almirall Prodesfarma, S.A. (ES) 2002-05-02 EP disclosed
EP-0706523-B1 SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES BYK GULDEN LOMBERG CHEM FAB (DE) 2001-01-24 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
US-5859030-A Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-01-12 US disclosed
US-5773451-A BACTERICIDES FOR HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-06-30 US disclosed
EP-0706523-A1 SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO disclosed
WO-1995001351-A1 SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 WO 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-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 KDM4E 3045/4885KMT2A 1698/4885RAB9A 922/4885
US-20160296503-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO2, CHRM3 KDM4E 3495/4885KMT2A 1957/4885RAB9A 436/4885
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRNB1, ARRB1 KDM4E 3852/4885KMT2A 3203/4885RAB9A 1356/4885
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 KDM4E 3154/4885KMT2A 1568/4885RAB9A 570/4885
US-20150246026-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NR4A1, CHRM4, NR4A3 KDM4E 1462/4885KMT2A 1931/4885RAB9A 1944/4885
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same CHRM3, QDPR, CHRM2 KDM4E 3919/4885KMT2A 2967/4885RAB9A 1402/4885

“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.