SCHEMBL422485

SCHEMBL422485

CN1CCN(c2ccc3nc4n(c3c2)CCN(C2=CC=C2)CC4)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR3A P46098 2/20 0.38
BRD4 O60885 7/20 0.37
NPM1 P06748 1/20 0.36
ALK Q9UM73 1/20 0.36
KHK P50053 1/20 0.36
TOP1 P11387 2/20 0.35
TOP2A P11388 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LCK P06239 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL419519 0.88 KHK (0.39) KDM4ESMN1; SMN2NPC1RAB9ABRD4
SCHEMBL421940 0.87 HTR3E (0.37) HTR3AKHKLCKHTT
SCHEMBL3792855 0.84 TSHR (0.36) SMN1; SMN2RAB9AKMT2AALDH1A1MAPT
SCHEMBL421171 0.84 ALDH1A1 (0.37) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL421388 0.84 ALDH1A1 (0.35) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL418679 0.83 BRD4 (0.35) BRD4
SCHEMBL420265 0.82 IP6K1 (0.41) RAB9ABRD4MAPK1
SCHEMBL422764 0.82 LMNA (0.48) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL420851 0.81 AOC3 (0.33) SMN1; SMN2NPC1RAB9ABRD4KHK
SCHEMBL418967 0.81 MAPT (0.42) SMN1; SMN2MEN1KMT2AALKALDH1A1

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-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KDM4E 1889/4885SMN1; SMN2 991/4885NPC1 1876/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KDM4E 1889/4885SMN1; SMN2 991/4885NPC1 1876/4885

“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.