SCHEMBL421676

SCHEMBL421676

N#Cc1ccc(-c2ccc3nc4n(c3c2)CCN(c2ccccc2)CC4)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
GRM2 Q14416 1/20 0.40
CHEK1 O14757 1/20 0.39
POLB P06746 1/20 0.39
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
HRH4 Q9H3N8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
HTR1A P08908 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
KHK P50053 1/20 0.36

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
SCHEMBL419641 0.83 HRH4 (0.37) GRM2CHEK1HRH4HTR1AMEN1
SCHEMBL419886 0.80 HRH4 (0.35) GRM2CHEK1HRH4HTR1AHRH3
SCHEMBL419594 0.79 SCN9A (0.42) GRM2CHEK1HRH4HTR1AHRH3
SCHEMBL421191 0.79 HRH4 (0.38) GRM2CHEK1HRH4HRH3
SCHEMBL420030 0.78 HRH3 (0.42) GRM2HRH4HRH1HRH3
SCHEMBL419640 0.77 HRH3 (0.42) RAB9AGRM2POLBSMN1; SMN2KDM4E
SCHEMBL420920 0.77 HRH3 (0.42) RAB9APOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL422437 0.77 SCN9A (0.41) GRM2HRH3
SCHEMBL421675 0.76 HRH3 (0.42) RAB9APOLBSMN1; SMN2KDM4EMEN1
SCHEMBL421000 0.76 MCHR1 (0.47) GRM2HRH3

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 MAPK1 2375/4885RAB9A 744/4885GRM2 65/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPK1 2375/4885RAB9A 744/4885GRM2 65/4885

“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.