SCHEMBL6895812

SCHEMBL6895812

c1cc2c(cc1CN1CCOCC1)nc1n2CCN2CCCCC2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.43
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 5/20 0.40
GAA P10253 1/20 0.40
L3MBTL3 Q96JM7 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MCL1 Q07820 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FLT3 P36888 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6896143 1.00 HRH3 (0.43) HRH3MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6895885 1.00 HRH3 (0.43) HRH3MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6895883 0.97 HRH3 (0.43) HRH3MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6895965 0.97 HRH3 (0.44) HRH3MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL7885320 0.86 HRH3 (0.49) HRH3MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL10012105 0.85 MAPT (0.53) HRH3MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL420061 0.84 HRH3 (0.47) HRH3MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6894034 0.82 HRH3 (0.41) HRH3
SCHEMBL6895992 0.81 ALDH1A1 (0.42) HRH3MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6895224 0.81 ALDH1A1 (0.42) HRH3MAPTALDH1A1SMN1; SMN2NPC1

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 HRH3 1/4885MAPT 951/4885ALDH1A1 2544/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885MAPT 951/4885ALDH1A1 2544/4885

“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.