SCHEMBL2816243

SCHEMBL2816243

CCCCN(C(=O)Cl)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
PAX8 Q06710 2/20 0.62
JAK2 O60674 1/20 0.62
TP53 P04637 4/20 0.54
ALDH1A1 P00352 4/20 0.52
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.52
ADRB2 P07550 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47

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
SCHEMBL7388943 0.95 NPC1 (0.69) NPC1RAB9APAX8JAK2TP53
SCHEMBL7778963 0.89 TP53 (0.58) NPC1RAB9APAX8JAK2TP53
SCHEMBL2892022 0.85 NPC1 (0.61) NPC1RAB9APAX8JAK2TP53
SCHEMBL10964238 0.85 ALDH1A1 (0.66) NPC1RAB9APAX8JAK2TP53
SCHEMBL11539836 0.84 RAB9A (0.49) NPC1RAB9APAX8JAK2TP53
SCHEMBL817611 0.84 NPC1 (0.59) NPC1RAB9APAX8JAK2TP53
SCHEMBL6003412 0.84 NPC1 (0.59) NPC1RAB9APAX8JAK2TP53
SCHEMBL6545547 0.83 NPC1 (0.88) NPC1RAB9APAX8JAK2TP53
SCHEMBL24638661 0.82 NPC1 (0.58) NPC1RAB9APAX8JAK2TP53
SCHEMBL11432329 0.82 NPC1 (0.58) NPC1RAB9APAX8JAK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249420-A9 Process for preparing quinuclidinium carbamate derivatives LABORATORIOS ALMIRALL S.A. (ES) 2010-09-30 US disclosed
US-7776879-B2 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL, S.A. (ES) 2010-08-17 US disclosed
US-20090198064-A1 Process for preparing quinuclidinium carbamate derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-08-06 US disclosed
EP-1781651-B1 PROCESS FOR PREPARING QUINUCLIDINIUM CARBAMATE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP 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
EP-1781651-A1 PROCESS FOR PREPARING QUINUCLIDINIUM CARBAMATE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-05-09 EP 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
WO-2006010452-A1 PROCESS FOR PREPARING QUINUCLIDINIUM CARBAMATE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-02-02 WO 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 (8 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 NPC1 2534/4885RAB9A 697/4885PAX8 2817/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 NPC1 2636/4885RAB9A 885/4885PAX8 1911/4885
US-20080021060-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM2, CHRM1 NPC1 1886/4885RAB9A 1334/4885PAX8 3119/4885
US-20040242629-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM2, CHRM1 NPC1 1428/4885RAB9A 1722/4885PAX8 3230/4885
US-20040266816-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM1, CHRM2 NPC1 1564/4885RAB9A 1609/4885PAX8 3288/4885
US-20100249420-A9 Process for preparing quinuclidinium carbamate derivatives CPS1, NAAA, QPCT NPC1 368/4885RAB9A 352/4885PAX8 2764/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 NPC1 2446/4885RAB9A 704/4885PAX8 2076/4885
US-20090198064-A1 Process for preparing quinuclidinium carbamate derivatives CPS1, NAAA, QPCT NPC1 368/4885RAB9A 352/4885PAX8 2764/4885

“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.