SCHEMBL10177048

SCHEMBL10177048

CCCn1c(CCN)nc2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALPG P10696 1/20 0.47
HTT P42858 1/20 0.47
PPARG P37231 1/20 0.44
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
JAK3 P52333 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.38
HDAC1 Q13547 1/20 0.38
TP53 P04637 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 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
SCHEMBL10176981 0.89 JAK2 (0.52) MAPTSMN1; SMN2ALPGHTTPPARG
SCHEMBL22031586 0.77 GLA (0.49) PPARGMEN1PKMKMT2A
SCHEMBL2016383 0.77 PPARG (0.40) MAPTSMN1; SMN2ALPGHTTPPARG
SCHEMBL422578 0.75 PARP1 (0.39) MAPTSMN1; SMN2HTTPPARGJAK2
SCHEMBL10177399 0.75 JAK2 (0.52) MAPTJAK2JAK1TYK2JAK3
SCHEMBL15111986 0.75 PPARG (0.46) MAPTSMN1; SMN2ALPGHTTPPARG
SCHEMBL12894290 0.75 MAPT (0.48) MAPTJAK2JAK1TYK2JAK3
SCHEMBL10177017 0.74 NPC1 (0.46) MAPTSMN1; SMN2PPARGPOLBHPGD
SCHEMBL24329871 0.73 MAPT (0.45) MAPTSMN1; SMN2HTTPPARGLMNA
SCHEMBL12894289 0.73 MAPT (0.46) MAPTPPARGJAK2JAK1TYK2

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 MAPT 738/4885SMN1; SMN2 991/4885ALPG 4630/4885

“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.