SCHEMBL6896281

SCHEMBL6896281

O=Cc1ccc2c(c1)nc1n2CCN2CCCC2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
ALDH1A1 P00352 9/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 6/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MCL1 Q07820 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL6896209 0.96 MAPT (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6896434 0.92 MAPT (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL418050 0.87 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10012263 0.85 MAPT (0.61) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL417757 0.83 MAPT (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10298838 0.81 MAPT (0.46) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10298628 0.81 MAPT (0.46) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6895935 0.81 MAPT (0.46) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10298624 0.81 MAPT (0.46) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6895391 0.81 MAPT (0.46) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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
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

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 951/4885ALDH1A1 2544/4885SMN1; SMN2 1591/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 951/4885ALDH1A1 2544/4885SMN1; SMN2 1591/4885

“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.