SCHEMBL419837

SCHEMBL419837

N#Cc1ccc(CNc2ccc3nc4n(c3c2)CCN(C2=CC=C2)CC4)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.38
GRM2 Q14416 1/20 0.37
CCNT1 O60563 5/20 0.35
CDK9 P50750 5/20 0.35
LRRK2 Q5S007 1/20 0.35
CACNA1B Q00975 2/20 0.34
GHSR Q92847 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CACNA1H O95180 1/20 0.34
PIK3CA P42336 1/20 0.33
NOS1 P29475 1/20 0.32
ABCB1 P08183 1/20 0.32

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
SCHEMBL422695 0.93 GRM2 (0.39) HRH4GRM2CCNT1CDK9LRRK2
SCHEMBL420245 0.88 PDE2A (0.41) HRH4GRM2CCNT1CDK9HDAC6
SCHEMBL419888 0.84 HRH3 (0.36) GRM2CDK9LRRK2
SCHEMBL419641 0.82 HRH4 (0.37) HRH4GRM2EGLN2
SCHEMBL417387 0.81 SCN7A (0.44) GRM2
SCHEMBL416634 0.80 RPS6KA2 (0.45) LRRK2
SCHEMBL419836 0.80 CCNT1 (0.39) HRH4GRM2CCNT1CDK9LRRK2
SCHEMBL422626 0.78 CSF1R (0.39) HDAC6HDAC4HDAC1HDAC8
SCHEMBL417644 0.78 GRM2 (0.38) GRM2
SCHEMBL421321 0.78 GRM2 (0.34) GRM2

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 HRH4 2/4885GRM2 65/4885CCNT1 4809/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH4 2/4885GRM2 65/4885CCNT1 4809/4885

“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.