SCHEMBL6896561

SCHEMBL6896561

N#Cc1ccc2c(c1)nc1n2CC2CCC(C1)N2C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.42
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MCHR1 Q99705 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
CYP11B1 P15538 6/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
KCNH2 Q12809 1/20 0.34
IDH1 O75874 1/20 0.33
KDM2B Q8NHM5 2/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL6896009 0.91 USP30 (0.38) CYP11B2HRH3CYP11B1KCNH2USP30
SCHEMBL6895898 0.91 USP30 (0.38) CYP11B2HRH3CYP11B1KCNH2USP30
SCHEMBL6893801 0.91 USP30 (0.38) CYP11B2HRH3CYP11B1KCNH2USP30
SCHEMBL10298614 0.81 PRKACA (0.42) KDM4EALDH1A1MCHR1MMP14ADAMTS5
SCHEMBL6895409 0.81 CYP11B2 (0.38) CYP11B2KDM4EALDH1A1MCHR1HRH3
SCHEMBL6895283 0.81 PDE4A (0.39) CYP11B2CYP11B1
SCHEMBL6896494 0.80 ALDH1A1 (0.35) KDM4EALDH1A1GAAKCNH2
SCHEMBL10012435 0.79 MEN1 (0.33) KDM4EALDH1A1KCNH2
SCHEMBL6896127 0.79 ALDH1A1 (0.33) KDM4EALDH1A1GAAKCNH2
SCHEMBL6896559 0.79 ALDH1A1 (0.43) CYP11B2KDM4EALDH1A1GLAGAA

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-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO 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
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 CYP11B2 2925/4885KDM4E 1965/4885ALDH1A1 2544/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CYP11B2 2925/4885KDM4E 1965/4885ALDH1A1 2544/4885

“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.