SCHEMBL2830909

SCHEMBL2830909

c1csc(CNC2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
HPGD P15428 3/20 0.54
KDM1A O60341 1/20 0.51
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.49
USP2 O75604 1/20 0.49
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44

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
SCHEMBL5863472 0.98 L3MBTL1 (0.60) L3MBTL1HPGDKDM1AKMT2APOLB
SCHEMBL2719923 0.92 KDM1A (0.54) L3MBTL1HPGDKDM1AKMT2APOLB
SCHEMBL18663232 0.85 KDM1A (0.59) L3MBTL1HPGDKDM1AKMT2APOLB
SCHEMBL4202090 0.82 CHRM2 (0.50) L3MBTL1HPGDKDM1AKMT2APOLB
SCHEMBL19540778 0.79 KDM1A (0.53) L3MBTL1HPGDKDM1AKMT2APOLB
SCHEMBL2094368 0.78 KDM1A (0.46) L3MBTL1HPGDKDM1AKMT2APOLB
SCHEMBL18677977 0.78 KDM1A (0.52) L3MBTL1HPGDKDM1AKMT2APOLB
SCHEMBL6896740 0.78 SLC6A2 (0.50) L3MBTL1HPGDKDM1AKMT2APOLB
SCHEMBL18677909 0.78 KDM1A (0.52) L3MBTL1HPGDKDM1AKMT2APOLB
SCHEMBL18674516 0.78 KDM1A (0.52) L3MBTL1HPGDKDM1AKMT2APOLB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
US-7776879-B2 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL, S.A. (ES) 2010-08-17 US disclosed
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-02-26 US disclosed
US-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-01-01 US disclosed
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US disclosed
US-20080021060-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG 2008-01-24 US disclosed
CN-100363363-C Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL PRODESFARMA SA (CH) 2008-01-23 CN disclosed
US-7312231-B2 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG (CH) 2007-12-25 US disclosed
US-7208501-B2 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-24 US disclosed
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 US disclosed
EP-1345937-B1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2005-09-28 EP disclosed
CN-1675206-A Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL PRODESFARMA SA (CH) 2005-09-28 CN disclosed
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP disclosed
US-20040266816-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL, S.A. (ES) 2004-12-30 US disclosed
US-20040242629-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists LABORATORIOS ALMIRALL S.A. (ES) 2004-12-02 US disclosed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 WO disclosed
EP-1345937-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2003-09-24 EP disclosed
WO-2002051841-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-04 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 (7 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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 L3MBTL1 4595/4885HPGD 2312/4885KDM1A 1064/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 L3MBTL1 4702/4885HPGD 2118/4885KDM1A 1086/4885
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 L3MBTL1 1291/4885HPGD 1286/4885KDM1A 2318/4885
US-20080021060-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM2, CHRM1 L3MBTL1 2683/4885HPGD 4155/4885KDM1A 528/4885
US-20040242629-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM2, CHRM1 L3MBTL1 2808/4885HPGD 4085/4885KDM1A 517/4885
US-20040266816-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM1, CHRM2 L3MBTL1 2461/4885HPGD 4127/4885KDM1A 401/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 L3MBTL1 4397/4885HPGD 2262/4885KDM1A 821/4885

“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.