SCHEMBL2830912

SCHEMBL2830912

NCc1sccc1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.40
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
LMNA P02545 1/20 0.33
HTR2A P28223 2/20 0.32
TDO2 P48775 2/20 0.32
NEK2 P51955 1/20 0.31
CEL P19835 1/20 0.30

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
SCHEMBL28593781 0.92 KEAP1 (0.42) KEAP1
Hydrochloric Acid SCHEMBL28596215 0.76 NUDT1 (0.35) KEAP1NUDT1BACE1HTR2A
SCHEMBL10367600 0.75 LMNA (0.30) LMNA
SCHEMBL10369652 0.75 LMNA (0.30) LMNA
SCHEMBL4084231 0.72 LMNA (0.39) LMNANEK2
SCHEMBL2832540 0.71 LMNA (0.38) LMNA
SCHEMBL4458509 0.69 CEL (0.35) NUDT1BACE1LMNATDO2NEK2
SCHEMBL7324741 0.69 LMNA (0.35) LMNATDO2NEK2CEL
SCHEMBL4580554 0.68 ALDH1A1 (0.42) LMNATDO2CEL
SCHEMBL28849763 0.68 ALDH1A1 (0.42) LMNATDO2CEL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 KEAP1 3022/4885NUDT1 1365/4885BACE1 3942/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 KEAP1 3562/4885NUDT1 1332/4885BACE1 3080/4885
US-20080021060-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM2, CHRM1 KEAP1 3162/4885NUDT1 2615/4885BACE1 3106/4885
US-20040242629-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM2, CHRM1 KEAP1 3244/4885NUDT1 2164/4885BACE1 3174/4885
US-20040266816-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM1, CHRM2 KEAP1 3026/4885NUDT1 2498/4885BACE1 3165/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 KEAP1 3434/4885NUDT1 1480/4885BACE1 3690/4885

“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.