SCHEMBL2570698

SCHEMBL2570698

c1cncc(CC2CCNC2)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.68
CHRNA4 P43681 7/20 0.68
CHRM2 P08172 2/20 0.68
CHRM1 P11229 2/20 0.68
CHRM3 P20309 2/20 0.68
HRH4 Q9H3N8 3/20 0.50
HRH3 Q9Y5N1 3/20 0.50
GBA1 P04062 1/20 0.50
CHRNA7 P36544 3/20 0.47
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
EED O75530 1/20 0.43

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
SCHEMBL18714677 1.00 CHRNB2 (0.68) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL5250017 0.98 CHRNB2 (0.66) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL38663623 0.90 GBA1 (0.62) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL2279484 0.90 GBA1 (0.62) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL3301662 0.89 GBA1 (0.61) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL18280120 0.89 GBA1 (0.61) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL24933229 0.81 CHRNB2 (0.56) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL15587446 0.80 GBA1 (0.52) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL18973437 0.80 GBA1 (0.52) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL20281803 0.80 HRH3 (0.56) CHRNB2CHRNA4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104540830-A Pyrazolopyrimidone and pyrazolopyridone inhibitors of tankyrase HOFFMANN LA ROCHE 2015-04-22 CN disclosed
EP-2858994-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE F. Hoffmann-La Roche AG (CH) 2015-04-15 EP disclosed
US-20130345215-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-26 US disclosed
WO-2013182546-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-12 WO disclosed
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 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 (4 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CHRNB2 4415/4885CHRNA4 4328/4885CHRM2 4235/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CHRNB2 4415/4885CHRNA4 4328/4885CHRM2 4235/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CHRNB2 4415/4885CHRNA4 4328/4885CHRM2 4235/4885
US-20130345215-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE TNKS1BP1, TPI1, TNKS CHRNB2 4809/4885CHRNA4 4765/4885CHRM2 4578/4885

“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.