SCHEMBL419061

SCHEMBL419061

Brc1ccc2nc3n(c2c1)CCN(C1=CC=C1)CC3

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
GRM2 Q14416 2/20 0.34
RAB9A P51151 4/20 0.32
NPC1 O15118 3/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPM1 P06748 1/20 0.32
ALK Q9UM73 1/20 0.32
MAPK1 P28482 1/20 0.31
APP P05067 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL421612 0.85 ACHE (0.36) GRM2RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL421303 0.85 KDM4E (0.40) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL417927 0.81 MAPK1 (0.31) RAB9AMAPK1
SCHEMBL420443 0.81 AAK1 (0.38) NPM1ALK
SCHEMBL421940 0.80 HTR3E (0.37) HTT
SCHEMBL419604 0.79 HRH3 (0.38) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL417992 0.79 PDE2A (0.36) GRM2RAB9ANPC1
SCHEMBL422759 0.78 NOS3 (0.31)
SCHEMBL419641 0.78 HRH4 (0.37) GRM2ALDH1A1MEN1KMT2A
SCHEMBL3792855 0.77 TSHR (0.36) MAPTRAB9AHTTALDH1A1SMN1; SMN2

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 MAPT 738/4885GRM2 65/4885RAB9A 744/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 738/4885GRM2 65/4885RAB9A 744/4885

“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.