SCHEMBL328338

SCHEMBL328338

CN(C1CCNCC1)C1CCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.50
HTR1A P08908 1/20 0.50
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRB1 P08588 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
ACHE P22303 1/20 0.42
ENPP2 Q13822 1/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APOBEC3G Q9HC16 1/20 0.40

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 0.91 MAPT (0.52) HTR7HTR1AMAPTKDM4EMEN1
SCHEMBL10127786 0.88 MAPT (0.52) HTR7MAPTKDM4EMEN1KMT2A
SCHEMBL3440420 0.85 MAPT (0.54) HTR7HTR1AMAPTKDM4EMEN1
SCHEMBL17689749 0.81 HTR1A (0.52) HTR7HTR1AMAPTKDM4EMEN1
SCHEMBL519878 0.80 HTR1A (0.72) HTR7HTR1AMAPTKDM4EMEN1
SCHEMBL16675742 0.80 MEN1 (0.51) HTR7MAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL1364478 0.79 HTR1A (0.70) HTR7HTR1AMAPTKDM4EMEN1
SCHEMBL328236 0.79 GPR119 (0.57) MAPTALDH1A1LMNAENPP2
SCHEMBL12367107 0.78 MAPT (0.59) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3869919 0.77 HTR7 (0.51) HTR7HTR1AMAPTKDM4EMEN1

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
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-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
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 HTR7 4387/4885HTR1A 3884/4885MAPT 3116/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HTR7 4387/4885HTR1A 3884/4885MAPT 3116/4885

“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.