SCHEMBL6895930

SCHEMBL6895930

Clc1ccc2c(c1)nc1n2CC2CCC(C1)N2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.39
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
KCNH2 Q12809 2/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CYP11B2 P19099 1/20 0.34
ACHE P22303 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 2/20 0.32
CYP2D6 P10635 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
HTR2A P28223 1/20 0.32
MMP14 P50281 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
AVPR1A P37288 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
SCHEMBL10298719 0.77 HTR3A (0.39) HTR3APIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL6895409 0.74 CYP11B2 (0.38) HTR3APIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL10010948 0.69 ALDH1A1 (0.41) HTR3AKMT2A
SCHEMBL6896600 0.67 CYP11B2 (0.39) CHRNB2CHRNA4CYP11B2
SCHEMBL11307987 0.66 ACHE (0.57) PIK3CAPIK3CBPIK3CGACHEKMT2A
SCHEMBL31164710 0.66 HTR2A (0.56) HTR3APIK3CAPIK3CBPIK3CGACHE
SCHEMBL7880030 0.65 HTR2A (0.48) HTR3APIK3CAPIK3CBPIK3CGACHE
SCHEMBL6895652 0.64 CYP11B2 (0.39) HTR3AKCNH2CYP11B2ACHE
Hydrochloric Acid SCHEMBL11386455 0.64 HTR2A (0.47) HTR3APIK3CAPIK3CBPIK3CGACHE
SCHEMBL7886302 0.63 MAPT (0.48) HTR3APIK3CAPIK3CBPIK3CGKCNH2

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
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
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO 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 HTR3A 54/4885PIK3CA 3362/4885PIK3CB 3104/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HTR3A 54/4885PIK3CA 3362/4885PIK3CB 3104/4885

“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.