SCHEMBL6893950

SCHEMBL6893950

N#Cc1ccc2c(c1)nc1n2CCCN2CCCCC2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 5/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 3/20 0.39
SLC6A4 P31645 2/20 0.37
HSD11B1 P28845 2/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6895693 0.95 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6896559 0.92 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6893862 0.91 HRH3 (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6895649 0.88 HRH3 (0.41) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6896178 0.87 HRH3 (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6893979 0.87 HRH3 (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6893823 0.87 HRH3 (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL422752 0.86 HRH3 (0.42) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6895804 0.83 HRH3 (0.41) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6894078 0.83 HRH3 (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
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
WO-2011031818-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 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.