SCHEMBL328237

SCHEMBL328237

COc1ccc(N)cc1C1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
QDPR P09417 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
TLR9 Q9NR96 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
APP P05067 1/20 0.43
DRD2 P14416 2/20 0.39
TLR8 Q9NR97 1/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
HTR1F P30939 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL6924205 0.92 ABCB1 (0.43) HTR1DHTR1BEHMT2DRD2CHRM4
SCHEMBL7029357 0.92 QDPR (0.52) HTR1DHTR1BQDPREHMT2APP
SCHEMBL10036163 0.90 HTR1D (0.49) HTR1DHTR1BQDPREHMT2TLR9
SCHEMBL6714974 0.89 ABCB1 (0.47) HTR1DHTR1BCHRM4CHRM1CHRM2
SCHEMBL7880812 0.86 HTR2A (0.47) HTR1DHTR1BQDPREHMT2
SCHEMBL17689758 0.84 EHMT2 (0.53) QDPREHMT2TLR9TLR7APP
SCHEMBL17690623 0.83 EHMT2 (0.43) HTR1DHTR1BQDPREHMT2TLR9
SCHEMBL10127744 0.82 HTR1D (0.52) HTR1DHTR1BQDPRTLR9TLR7
SCHEMBL30496473 0.80 QDPR (0.52) HTR1DHTR1BQDPREHMT2APP
SCHEMBL282999 0.80 QDPR (0.52) HTR1DHTR1BQDPREHMT2APP

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 6 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
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-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

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 HTR1D 3635/4885HTR1B 3677/4885QDPR 986/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HTR1D 3635/4885HTR1B 3677/4885QDPR 986/4885

“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.