SCHEMBL10176607

SCHEMBL10176607

Cc1ccc(-c2cnc3c(c2)nc2n3CCN(C3CCC3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.38
HRH3 Q9Y5N1 10/20 0.38
TLR4 O00206 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
KCNH2 Q12809 2/20 0.35
USP30 Q70CQ3 1/20 0.35
MAPK1 P28482 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL13259274 0.89 KDM4E (0.37) HRH3TLR4TLR9TLR8TLR7
SCHEMBL7885180 0.89 LMNA (0.35) HRH3TLR4TLR9TLR8TLR7
SCHEMBL7883678 0.86 AKT1 (0.35) HRH3TLR4TLR9TLR8TLR7
SCHEMBL7891527 0.86 HRH3 (0.33) HRH3TLR4TLR9TLR8TLR7
SCHEMBL7893583 0.86 HRH3 (0.46) KDM2BHRH3KCNH2USP30
SCHEMBL10176610 0.86 HRH3 (0.34) KDM2BHRH3TLR4TLR9TLR8
SCHEMBL7889358 0.83 MAPT (0.45) KDM2BTLR4TLR9TLR8TLR7
SCHEMBL10176636 0.81 KDM2B (0.40) KDM2BHRH3TLR4TLR9TLR8
SCHEMBL10176666 0.81 MAPT (0.47) KDM2BHRH3MEN1KMT2AHPGD
SCHEMBL7879747 0.80 CHRNB1 (0.38) HRH3CHRNB1CHRNB2CHRNB4CHRNA3

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KDM2B 1707/4885HRH3 1/4885TLR4 1334/4885

“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.