SCHEMBL10127786

SCHEMBL10127786

CN1CCC(N(C)C2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
BCL2A1 Q16548 1/20 0.48
HTR7 P34969 1/20 0.47
HTR2C P28335 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
MET P08581 1/20 0.43
ENPP2 Q13822 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 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
SCHEMBL28253934 0.94 MAPT (0.52) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL328338 0.88 HTR7 (0.50) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL3440420 0.87 MAPT (0.54) MAPTKDM4EMEN1KMT2ABCL2A1
SCHEMBL30198400 0.82 SIRT6 (0.66) MAPTKDM4EMEN1KMT2ABCL2A1
SCHEMBL1203455 0.82 SIRT6 (0.66) MAPTKDM4EMEN1KMT2ABCL2A1
SCHEMBL16675742 0.82 MEN1 (0.51) MAPTKDM4EMEN1KMT2ABCL2A1
SCHEMBL10127548 0.81 BCL2A1 (0.55) MAPTKDM4EMEN1KMT2ABCL2A1
SCHEMBL328236 0.81 GPR119 (0.57) MAPTALDH1A1LMNAMETENPP2
SCHEMBL12367107 0.80 MAPT (0.59) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL10127797 0.79 ADRA2C (0.64) MAPTKDM4EMEN1KMT2AHTR2C

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 8 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
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 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-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-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 MAPT 3116/4885KDM4E 39/4885MEN1 724/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MAPT 3116/4885KDM4E 39/4885MEN1 724/4885

“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.