SCHEMBL6897514

SCHEMBL6897514

CC1Cn2c(nc3cc(Br)ccc32)CCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
CACNA2D1 P54289 7/20 0.34
MAPT P10636 3/20 0.34
OPRM1 P35372 1/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6922041 0.82 CACNA2D1 (0.47) CACNA2D1OPRM1MEN1KMT2ANPC1
SCHEMBL6897154 0.78 MAPT (0.42) PIK3CDPIK3CAPIK3CBPIK3CGSIGMAR1
SCHEMBL419918 0.76 PIK3CA (0.42) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL6895449 0.73 PIK3CA (0.36) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL1426313 0.71 MEN1 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL6921496 0.70 CACNA2D1 (0.47) SIGMAR1CACNA2D1OPRM1NPC1RAB9A
SCHEMBL6895917 0.70 HTR7 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL7889376 0.68 MEN1 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL28589475 0.66 PIK3CA (0.43) PIK3CDPIK3CAPIK3CBPIK3CGSIGMAR1
SCHEMBL422620 0.66 MAPT (0.48) PIK3CDPIK3CAPIK3CBPIK3CGMAPT

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 PIK3CD 3230/4885PIK3CA 3362/4885PIK3CB 3104/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 PIK3CD 3230/4885PIK3CA 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.