SCHEMBL282769

SCHEMBL282769

CN1CCN(CCCN2C(=O)COc3cc(N)ccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.53
CHRM5 P08912 3/20 0.53
CHRM3 P20309 3/20 0.53
DRD2 P14416 7/20 0.52
HTR2A P28223 6/20 0.52
MCHR1 Q99705 5/20 0.52
HTR1A P08908 1/20 0.46
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
ADRA1B P35368 1/20 0.45
KCNH2 Q12809 1/20 0.45
EGFR P00533 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 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
SCHEMBL328194 0.93 NOS3 (0.49) CHRM1CHRM5CHRM3DRD2HTR2A
SCHEMBL10127991 0.91 DRD2 (0.52) CHRM1CHRM5CHRM3DRD2HTR2A
SCHEMBL328234 0.88 EGFR (0.54) CHRM1CHRM5CHRM3DRD2HTR2A
SCHEMBL498915 0.83 NOS3 (0.56) CHRM1CHRM5CHRM3DRD2HTR2A
SCHEMBL328304 0.82 CHRM1 (0.50) CHRM1CHRM5CHRM3DRD2HTR2A
SCHEMBL10127945 0.81 NOS3 (0.48) CHRM1CHRM5CHRM3KCNH2EGFR
SCHEMBL13071332 0.81 CHRM1 (0.43) CHRM1CHRM5CHRM3DRD2HTR2A
SCHEMBL16522709 0.81 CHRM1 (0.47) CHRM1CHRM5CHRM3NOS3NOS1
SCHEMBL16897923 0.80 POLB (0.57) DRD2HTR2AMCHR1
SCHEMBL10128002 0.79 EGFR (0.54) CHRM1DRD2HTR2AMCHR1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 CHRM1 3675/4885CHRM5 3377/4885CHRM3 3297/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 CHRM1 3675/4885CHRM5 3377/4885CHRM3 3297/4885

“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.