SCHEMBL6895917

SCHEMBL6895917

Brc1ccc2c(c1)nc1n2CC2CCCN2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.42
HTR6 P50406 1/20 0.40
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CHRNA7 P36544 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL422620 0.86 MAPT (0.48) HTR7MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL10298603 0.85 SMN1; SMN2 (0.40) HTR6MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6893978 0.85 MAPT (0.38) HTR7MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL10298600 0.81 USP30 (0.37) HTR6MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6895935 0.81 MAPT (0.46) HTR7HTR6MAPTALDH1A1SMN1; SMN2
SCHEMBL6895391 0.81 MAPT (0.46) HTR7HTR6MAPTALDH1A1SMN1; SMN2
SCHEMBL6896562 0.81 MAPT (0.41) HTR7HTR6MAPTALDH1A1SMN1; SMN2
SCHEMBL6922715 0.80 ALDH1A1 (0.44) HTR7HTR6ALDH1A1SMN1; SMN2NPC1
SCHEMBL6895449 0.80 PIK3CA (0.36) HTR7MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6895573 0.78 EGLN2 (0.43)

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-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
WO-2011031816-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 HTR7 69/4885HTR6 107/4885MAPT 951/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HTR7 69/4885HTR6 107/4885MAPT 951/4885

“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.