SCHEMBL421000

SCHEMBL421000

N#Cc1ccc(-c2ccc3nc4n(c3c2)CCN(CC2CC2)CC4)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.47
SIGMAR1 Q99720 2/20 0.43
HRH3 Q9Y5N1 3/20 0.42
GRM2 Q14416 1/20 0.41
KDM1A O60341 2/20 0.39
KDM2B Q8NHM5 1/20 0.35

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
SCHEMBL7889129 0.92 MCHR1 (0.45) MCHR1SIGMAR1HRH3GRM2KDM1A
SCHEMBL420920 0.80 HRH3 (0.42) MCHR1HRH3KDM2B
SCHEMBL419640 0.80 HRH3 (0.42) HRH3GRM2KDM2B
SCHEMBL421675 0.79 HRH3 (0.42) HRH3KDM2B
SCHEMBL422437 0.77 SCN9A (0.41) HRH3GRM2KDM1AKDM2B
SCHEMBL417697 0.77 IRAK4 (0.41) HRH3GRM2KDM2B
SCHEMBL422444 0.77 HRH4 (0.35) HRH3GRM2
SCHEMBL421191 0.77 HRH4 (0.38) HRH3GRM2
SCHEMBL10176654 0.77 GRM2 (0.42) MCHR1GRM2KDM2B
SCHEMBL419594 0.77 SCN9A (0.42) HRH3GRM2

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 MCHR1 114/4885SIGMAR1 192/4885HRH3 1/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MCHR1 114/4885SIGMAR1 192/4885HRH3 1/4885

“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.