SCHEMBL421675

SCHEMBL421675

N#Cc1ccc(-c2ccc3nc4n(c3c2)CCN(C2CCCCC2)CC4)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.42
OGFRL1 Q5TC84 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
KDM2B Q8NHM5 2/20 0.40
KDM4E B2RXH2 4/20 0.38
HSD11B1 P28845 2/20 0.38
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL420920 0.99 HRH3 (0.42) HRH3OGFRL1OPRM1OPRD1OPRK1
SCHEMBL419640 0.97 HRH3 (0.42) HRH3OGFRL1OPRM1OPRD1OPRK1
SCHEMBL7880982 0.92 MAPT (0.47) HRH3OGFRL1OPRM1OPRD1OPRK1
SCHEMBL7886559 0.90 MAPT (0.45) HRH3OGFRL1OPRM1OPRD1OPRK1
SCHEMBL417697 0.90 IRAK4 (0.41) HRH3KCNH2KDM2BHSD11B1HTR6
SCHEMBL422437 0.90 SCN9A (0.41) HRH3KCNH2KDM2BHSD11B1
SCHEMBL422754 0.88 MAPT (0.43) HRH3KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL419887 0.88 HRH3 (0.48) HRH3OGFRL1OPRM1OPRD1OPRK1
SCHEMBL420214 0.86 IRAK4 (0.44) HRH3KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7891067 0.83 KDM2B (0.39) HRH3OGFRL1OPRM1OPRD1OPRK1

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 HRH3 1/4885OGFRL1 1812/4885OPRM1 234/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885OGFRL1 1812/4885OPRM1 234/4885

“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.