SCHEMBL6895409

SCHEMBL6895409

Clc1ccc2c(c1)nc1n2CC2CCC(C1)N2C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
HTR3A P46098 1/20 0.37
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ACHE P22303 1/20 0.34
POLB P06746 1/20 0.34
MCHR1 Q99705 3/20 0.34
MMP14 P50281 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 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
SCHEMBL10298614 0.85 PRKACA (0.42) HTR3APIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL6896494 0.82 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6896561 0.81 CYP11B2 (0.42) CYP11B2HRH3ALDH1A1MCHR1MMP14
SCHEMBL6896127 0.81 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL10012435 0.81 MEN1 (0.33) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL10298604 0.81 USP30 (0.35) CYP11B2HTR3AALDH1A1SMN1; SMN2MAPT
SCHEMBL10298618 0.81 USP30 (0.35) CYP11B2HTR3AALDH1A1SMN1; SMN2MAPT
SCHEMBL10298602 0.81 USP30 (0.35) CYP11B2HTR3AALDH1A1SMN1; SMN2MAPT
SCHEMBL6910421 0.79 MTOR (0.38) CYP11B2HTR3APIK3CAPIK3CBPIK3CG
SCHEMBL6895898 0.78 USP30 (0.38) CYP11B2HRH3KCNH2

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
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO 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
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 2925/4885HTR3A 54/4885PIK3CA 3362/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CYP11B2 2925/4885HTR3A 54/4885PIK3CA 3362/4885

“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.