SCHEMBL418979

SCHEMBL418979

COc1cnc(-c2ccc3nc4n(c3c2)CCN(C2CCC2)CC4)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 3/20 0.41
OPRL1 P41146 1/20 0.41
HRH3 Q9Y5N1 10/20 0.40
KCNH2 Q12809 4/20 0.40
MAT2A P31153 2/20 0.37
ADRA1A P35348 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
TLR9 Q9NR96 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
TLR4 O00206 1/20 0.35
TLR8 Q9NR97 1/20 0.35
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7887457 0.92 HRH3 (0.40) OGFRL1OPRL1HRH3KCNH2OPRM1
SCHEMBL420018 0.86 HRH3 (0.39) HRH3KCNH2MAT2AADRA1ATLR9
SCHEMBL419959 0.83 TLR4 (0.35) HRH3KCNH2TLR9TLR7TLR4
SCHEMBL419617 0.83 MAT2A (0.38) HRH3KCNH2MAT2AADRA1ATLR9
SCHEMBL422573 0.82 TLR4 (0.39) HRH3KCNH2MAT2ATLR9TLR7
SCHEMBL421059 0.82 HRH3 (0.41) OGFRL1OPRL1HRH3KCNH2TLR9
SCHEMBL10176905 0.80 MAPT (0.42) HRH3KCNH2TLR9TLR7TLR4
SCHEMBL422576 0.79 KDM2B (0.43) HRH3KDM4ENPC1ALDH1A1MAPT
SCHEMBL10176637 0.79 HRH3 (0.42) HRH3KCNH2ADRA1ATLR9TLR7
SCHEMBL420668 0.79 HRH3 (0.45) HRH3KCNH2TLR9TLR7TLR4

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 OGFRL1 1812/4885OPRL1 101/4885HRH3 1/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 OGFRL1 1812/4885OPRL1 101/4885HRH3 1/4885

“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.