SCHEMBL6896310

SCHEMBL6896310

c1cnc(-c2ccc3c(c2)nc2n3CCN3CCC[C@H]3C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 6/20 0.38
GSK3B P49841 6/20 0.38
DYRK1A Q13627 6/20 0.38
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B2 P19099 1/20 0.35
OPRL1 P41146 2/20 0.35
OGFRL1 Q5TC84 2/20 0.35

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
SCHEMBL6896181 0.97 MAPT (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL422799 0.88 MAPT (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10298627 0.80 HRH3 (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10298625 0.79 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10298638 0.79 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL421059 0.79 HRH3 (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10011489 0.78 MAPT (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6895879 0.78 ALDH1A1 (0.38) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6895811 0.77 DYRK1A (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6895980 0.77 DYRK1A (0.40) 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
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
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 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.