SCHEMBL422576

SCHEMBL422576

c1ccc(-c2ccc3nc4n(c3c2)CCN(C2CCC2)CC4)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.43
HRH3 Q9Y5N1 6/20 0.40
TGFBR1 P36897 4/20 0.38
CYP2C9 P11712 1/20 0.38
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
DRD2 P14416 1/20 0.35
TGFBR2 P37173 1/20 0.35
MAP3K20 Q9NYL2 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL7886920 0.92 KDM2B (0.43) KDM2BHRH3TGFBR1CYP2C9NPC1
SCHEMBL421059 0.86 HRH3 (0.41) HRH3NPC1ALDH1A1MAPTRAB9A
SCHEMBL7891067 0.85 KDM2B (0.39) KDM2BHRH3CYP2C9NPC1ALDH1A1
SCHEMBL420442 0.82 KDM2B (0.40) KDM2BHRH3CYP2C9NPC1ALDH1A1
SCHEMBL420024 0.81 KDM2B (0.43) KDM2BHRH3CYP2C9
SCHEMBL419363 0.81 DYRK1A (0.47)
SCHEMBL10176636 0.80 KDM2B (0.40) KDM2BHRH3CYP2C9NPC1ALDH1A1
SCHEMBL419554 0.80 HRH3 (0.44) HRH3
SCHEMBL419959 0.80 TLR4 (0.35) HRH3NPC1ALDH1A1MAPTRAB9A
SCHEMBL419894 0.79 MAPT (0.44) KDM2BHRH3CYP2C9NPC1ALDH1A1

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 KDM2B 1707/4885HRH3 1/4885TGFBR1 2634/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KDM2B 1707/4885HRH3 1/4885TGFBR1 2634/4885

“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.