SCHEMBL7890600

SCHEMBL7890600

CC1CCCC1N1CCc2nc3cc(-c4ccc(C#N)cc4)ccc3n2CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.37
HRH4 Q9H3N8 1/20 0.37
USP30 Q70CQ3 1/20 0.36
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
GRM2 Q14416 1/20 0.35
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34
KCNH2 Q12809 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
SCHEMBL7887697 0.88 TP53 (0.37) USP30GRM2MMP14ADAMTS5NPC1
SCHEMBL422754 0.88 MAPT (0.43) HRH3GRM2NPC1ALDH1A1MAPT
SCHEMBL7886559 0.85 MAPT (0.45) HRH3GRM2NPC1ALDH1A1MAPT
SCHEMBL7890641 0.85 HRH3 (0.40) HRH3HRH4HRH2HRH1GRM2
SCHEMBL7880982 0.85 MAPT (0.47) HRH3GRM2NPC1ALDH1A1MAPT
SCHEMBL7886562 0.83 HRH3 (0.37) HRH3HRH4USP30GRM2MMP14
SCHEMBL7890090 0.83 HRH4 (0.41) HRH3HRH4USP30GRM2NPC1
SCHEMBL417919 0.82 HRH3 (0.43) HRH3NPC1ALDH1A1MAPTRAB9A
SCHEMBL7892805 0.81 HRH3 (0.39) HRH3GRM2NPC1ALDH1A1MAPT
SCHEMBL6897249 0.80 MAPT (0.53) HRH3USP30GRM2MMP14ADAMTS5

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 9 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-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
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US 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
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 1/4885HRH4 2/4885USP30 2482/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885HRH4 2/4885USP30 2482/4885

“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.