SCHEMBL6896009

SCHEMBL6896009

N#Cc1ccc(-c2ccc3c(c2)nc2n3CC3CCC(C2)N3C2CCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 9/20 0.38
CYP11B2 P19099 2/20 0.38
HRH4 Q9H3N8 1/20 0.35
PDE4A P27815 1/20 0.35
HRH3 Q9Y5N1 3/20 0.33
PGR P06401 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR6 P50406 1/20 0.33
SCN7A Q01118 1/20 0.33
CYP11B1 P15538 1/20 0.33
EGLN2 Q96KS0 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
SCHEMBL6893801 1.00 USP30 (0.38) USP30CYP11B2HRH4PDE4AHRH3
SCHEMBL6895898 1.00 USP30 (0.38) USP30CYP11B2HRH4PDE4AHRH3
SCHEMBL6896561 0.91 CYP11B2 (0.42) USP30CYP11B2HRH3KCNH2CYP11B1
SCHEMBL6895283 0.85 PDE4A (0.39) CYP11B2PDE4ACYP11B1EGLN2
SCHEMBL10298618 0.85 USP30 (0.35) USP30CYP11B2KCNH2
SCHEMBL10298602 0.85 USP30 (0.35) USP30CYP11B2KCNH2
SCHEMBL10298604 0.85 USP30 (0.35) USP30CYP11B2KCNH2
SCHEMBL10298610 0.83 KDM4E (0.34) USP30
SCHEMBL10012806 0.83 NOS3 (0.38) USP30HRH3KCNH2
SCHEMBL6895804 0.80 HRH3 (0.41) USP30HRH3KCNH2EGLN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 USP30 2831/4885CYP11B2 2925/4885HRH4 2/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 USP30 2831/4885CYP11B2 2925/4885HRH4 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.