SCHEMBL420246

SCHEMBL420246

c1coc(-c2ccc3c(c2)nc2n3CCN(C3CCC3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KDM4E B2RXH2 6/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
MCL1 Q07820 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH1 P35367 2/20 0.36

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
SCHEMBL7879760 0.92 MAPT (0.42) MAPTKDM4ECASP1CASP7MCL1
SCHEMBL6895787 0.88 ADORA2A (0.41) MAPTKDM4ECASP1CASP7MCL1
SCHEMBL6895394 0.87 MAPT (0.46) MAPTKDM4ECASP1CASP7MCL1
SCHEMBL7879747 0.83 CHRNB1 (0.38) MAPTKDM4ECASP1CASP7MCL1
SCHEMBL7879894 0.83 MAPT (0.46) MAPTKDM4ECASP1CASP7MCL1
SCHEMBL419894 0.81 MAPT (0.44) MAPTKDM4ECASP1CASP7MCL1
SCHEMBL420780 0.81 MAPT (0.44) MAPTKDM4ECASP1CASP7MCL1
SCHEMBL7889358 0.80 MAPT (0.45) MAPTKDM4ECASP1CASP7MCL1
SCHEMBL7890073 0.80 MAPT (0.45) MAPTKDM4ECASP1CASP7MCL1
SCHEMBL419715 0.79 MAPT (0.44) MAPTKDM4ECASP1CASP7MCL1

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 6 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
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO 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 MAPT 738/4885KDM4E 1889/4885CASP1 4842/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 738/4885KDM4E 1889/4885CASP1 4842/4885

“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.