SCHEMBL281977

SCHEMBL281977

CN1CCN(C2CCN(c3cc[c]cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.55
L3MBTL1 Q9Y468 9/20 0.55
MBTD1 Q05BQ5 2/20 0.50
ALDH1A1 P00352 2/20 0.47
GRIN2B Q13224 1/20 0.46
VCP P55072 1/20 0.45
KMT2A Q03164 2/20 0.44
TP53BP1 Q12888 1/20 0.44
MAPT P10636 2/20 0.43
ACVR1 Q04771 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ADRA2C P18825 1/20 0.42
GFER P55789 1/20 0.42
PTK2B Q14289 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL27879361 0.95 L3MBTL3 (0.53) L3MBTL3L3MBTL1MBTD1ALDH1A1GRIN2B
SCHEMBL1811223 0.85 L3MBTL3 (0.57) L3MBTL3L3MBTL1MBTD1ALDH1A1GRIN2B
SCHEMBL28330181 0.84 L3MBTL1 (0.71) L3MBTL3L3MBTL1MBTD1ALDH1A1GRIN2B
SCHEMBL27896079 0.84 L3MBTL3 (0.78) L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL161122 0.83 ADRA2C (0.57) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL17838715 0.83 L3MBTL3 (0.55) L3MBTL3L3MBTL1MBTD1KMT2ATP53BP1
SCHEMBL13616253 0.83 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1ALDH1A1GRIN2B
SCHEMBL4041212 0.82 L3MBTL3 (0.75) L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1815476 0.82 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1ALDH1A1GRIN2B
SCHEMBL24596956 0.81 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1ALDH1A1GRIN2B

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 9 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-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B9 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
CN-102421761-B Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC 2014-06-18 CN 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 L3MBTL3 1973/4885L3MBTL1 1714/4885MBTD1 733/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 L3MBTL3 1973/4885L3MBTL1 1714/4885MBTD1 733/4885

“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.