SCHEMBL420850

SCHEMBL420850

c1cc2nc3n(c2cc1N1CCN(C2CCOCC2)CC1)CCN(C1CCC1)CC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD3 P35462 2/20 0.36
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
AOC3 Q16853 1/20 0.36
ACVR1 Q04771 1/20 0.35
TP53 P04637 1/20 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
SCHEMBL417895 0.95 HRH3 (0.35) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL421387 0.93 ALDH1A1 (0.40) HRH3NPC1ALDH1A1MAPTRAB9A
SCHEMBL7890038 0.92 MAPT (0.43) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL421170 0.92 ALDH1A1 (0.42) HRH3NPC1ALDH1A1MAPTRAB9A
SCHEMBL422484 0.88 KDM4E (0.42) HRH3NPC1ALDH1A1MAPTRAB9A
SCHEMBL7887011 0.87 MAPT (0.41) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL420851 0.87 AOC3 (0.33) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL421939 0.86 OPRM1 (0.41) HRH3OPRM1OPRD1OPRK1NPC1
SCHEMBL419518 0.85 KHK (0.38) HRH3NPC1ALDH1A1MAPTRAB9A
SCHEMBL7887720 0.85 MAPT (0.48) HRH3NPC1ALDH1A1MAPTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885OPRM1 234/4885OPRD1 246/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885OPRM1 234/4885OPRD1 246/4885

“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.