SCHEMBL417697

SCHEMBL417697

CN1CCC(N2CCc3nc4ccc(-c5ccc(C#N)cc5)cc4n3CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
HRH3 Q9Y5N1 8/20 0.40
HRH4 Q9H3N8 3/20 0.39
KCNH2 Q12809 1/20 0.38
HTR6 P50406 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
ACVR1 Q04771 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
HSD11B1 P28845 2/20 0.36
GRM2 Q14416 1/20 0.36
JAK1 P23458 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 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
SCHEMBL7890090 0.92 HRH4 (0.41) IRAK4HRH3HRH4KCNH2HTR6
SCHEMBL419640 0.91 HRH3 (0.42) IRAK4HRH3KCNH2KDM2BEGLN2
SCHEMBL420920 0.91 HRH3 (0.42) IRAK4HRH3KCNH2KDM2BEGLN2
SCHEMBL421675 0.90 HRH3 (0.42) HRH3KCNH2HTR6KDM2BHSD11B1
SCHEMBL422437 0.88 SCN9A (0.41) IRAK4HRH3KCNH2KDM2BHSD11B1
SCHEMBL422628 0.84 MAP4K1 (0.37) JAK1
SCHEMBL422754 0.82 MAPT (0.43) HRH3KCNH2KDM2BHSD11B1GRM2
SCHEMBL7886559 0.82 MAPT (0.45) HRH3KCNH2KDM2BHSD11B1GRM2
SCHEMBL7890641 0.82 HRH3 (0.40) IRAK4HRH3HRH4KCNH2KDM2B
SCHEMBL419887 0.82 HRH3 (0.48) IRAK4HRH3KDM2B

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 IRAK4 2343/4885HRH3 1/4885HRH4 2/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 IRAK4 2343/4885HRH3 1/4885HRH4 2/4885

“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.