SCHEMBL6896441

SCHEMBL6896441

CC1(C)OB(c2ccc3c(c2)nc2n3CC3CCC(C2)N3C2CCC2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
KDM4E B2RXH2 2/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
GAA P10253 1/20 0.31
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL6895697 0.82 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6897419 0.82 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10011272 0.81 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6895712 0.81 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6897443 0.80 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10010702 0.79 MAPT (0.55) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10298614 0.79 PRKACA (0.42) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL419644 0.78 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6895803 0.78 IDO1 (0.32) ALDH1A1MAPTIRAK4KDM4EIDO1
SCHEMBL420354 0.76 MAPT (0.41) ALDH1A1MAPTSMN1; 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
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
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 ALDH1A1 2544/4885MAPT 951/4885SMN1; SMN2 1591/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 ALDH1A1 2544/4885MAPT 951/4885SMN1; 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.