SCHEMBL421303

SCHEMBL421303

Nc1ccc2nc3n(c2c1)CCN(C1=CC=C1)CC3

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 2/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL420460 0.90 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL419061 0.85 MAPT (0.36) ALDH1A1RAB9AMAPK1MEN1KMT2A
SCHEMBL421612 0.85 ACHE (0.36) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL419248 0.81 TSHR (0.37) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL417927 0.81 MAPK1 (0.31) RAB9AMAPK1
SCHEMBL419888 0.81 HRH3 (0.36)
SCHEMBL420443 0.81 AAK1 (0.38)
SCHEMBL422485 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL422759 0.80 NOS3 (0.31)
SCHEMBL421940 0.80 HTR3E (0.37)

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 1889/4885ALDH1A1 2598/4885HPGD 403/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KDM4E 1889/4885ALDH1A1 2598/4885HPGD 403/4885

“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.