SCHEMBL6897154

SCHEMBL6897154

CC1Cc2nc3cc(Br)ccc3n2CCN1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
ADRA2A P08913 1/20 0.39
PNMT P11086 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
GRM2 Q14416 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
CACNA2D1 P54289 3/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL6921146 0.82 CACNA2D1 (0.44) ADRA2APNMTADRA2BADRA2CLMNA
SCHEMBL6897514 0.78 PIK3CD (0.37) MAPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL419918 0.76 PIK3CA (0.42) MAPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6893870 0.74 MAPT (0.41) MAPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6895391 0.71 MAPT (0.46) MAPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6896562 0.71 MAPT (0.41) MAPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6895935 0.71 MAPT (0.46) MAPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1426313 0.71 MEN1 (0.62) MAPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6893826 0.70 MAPT (0.47) MAPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6896260 0.70 MAPT (0.42) MAPTPIK3CDPIK3CAPIK3CBPIK3CG

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-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
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 MAPT 951/4885PIK3CD 3230/4885PIK3CA 3362/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 951/4885PIK3CD 3230/4885PIK3CA 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.