SCHEMBL6068339

SCHEMBL6068339

[CH]1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
HRH3 Q9Y5N1 1/20 0.50
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNH2 Q12809 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
SLC6A2 P23975 1/20 0.46
DRD3 P35462 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL6067796 0.92 CHRM2 (0.53) CHRM2CHRM4CHRM5HRH3ALDH1A1
SCHEMBL20483452 0.87 CHRM2 (0.64) CHRM2CHRM4CHRM5HRH3CHRNB2
SCHEMBL9328718 0.82 CHRM2 (0.50) CHRM2CHRM4CHRM5HRH3MAPT
SCHEMBL5728905 0.82 CHRM2 (0.58) CHRM2CHRM4CHRM5HRH3CHRNB2
SCHEMBL1723411 0.82 CHRM2 (0.58) CHRM2CHRM4CHRM5HRH3CHRNB2
Ammonia Solution, Strong SCHEMBL18049528 0.80 CHRM2 (0.56) CHRM2CHRM4CHRM5HRH3CHRNB2
SCHEMBL4870895 0.79 CHRM2 (0.60) CHRM2CHRM4CHRM5HRH3ALDH1A1
SCHEMBL286992 0.78 CHRM2 (0.59) CHRM2CHRM4CHRM5HRH3CHRNB2
SCHEMBL3718240 0.78 CHRM2 (0.55) CHRM2CHRM4CHRM5HRH3CHRNB2
SCHEMBL19839225 0.78 CHRM2 (0.59) CHRM2CHRM4CHRM5HRH3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP claimed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US claimed
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP claimed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO claimed
US-20030153568-A1 Benzothiazole derivatives BASF AKTIENGESELLSCHAFT LUDWIGSHAFEN, GERMANY 2003-08-14 US claimed
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP claimed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 WO claimed
US-6156752-A Optically active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC (US) 2000-12-05 US claimed
EP-0899261-A1 Optical active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 1999-03-03 EP claimed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed
US-7091227-B2 Benzothiazole derivatives ABBOTT GMBH & CO. KG (DE) 2006-08-15 US disclosed
US-20030153568-A1 Benzothiazole derivatives BASF AKTIENGESELLSCHAFT LUDWIGSHAFEN, GERMANY 2003-08-14 US disclosed
US-6156752-A Optically active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC (US) 2000-12-05 US disclosed
EP-0899261-A1 Optical active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 1999-03-03 EP disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 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 (2 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-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CHRM2 8/4885CHRM4 23/4885CHRM5 21/4885
US-20030153568-A1 Benzothiazole derivatives TK1, FLT1, CDK1 CHRM2 4858/4885CHRM4 4874/4885CHRM5 4862/4885

“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.