SCHEMBL7880478

SCHEMBL7880478

CC(C)(C)OC(=O)NCCC(=O)OCCNc1ncc(Br)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
AAK1 Q2M2I8 2/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
IDO1 P14902 2/20 0.35
BRD4 O60885 4/20 0.35
LATS1 O95835 1/20 0.35
POLB P06746 1/20 0.35
BCHE P06276 1/20 0.34
CKS1B P61024 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
SCHEMBL419294 0.85 STK17B (0.39) STK17BSTK17ACA12CA1CA2
SCHEMBL22468489 0.78 KDM4E (0.40) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL1092885 0.76 P2RY2 (0.44) AAK1ALDH1A1MAPTPOLBTDP1
SCHEMBL5096612 0.75 AAK1 (0.40) STK17BSTK17AAAK1
SCHEMBL858165 0.75 AAK1 (0.42) CA1CA2AAK1
SCHEMBL1093294 0.74 AAK1 (0.43) AAK1ALDH1A1IDO1
SCHEMBL27868742 0.73 AAK1 (0.41) STK17BSTK17AAAK1GAA
SCHEMBL24640570 0.72 ALDH1A1 (0.46) STK17BSTK17AALDH1A1MAPTBRD4
SCHEMBL422730 0.71 ALDH1A1 (0.38) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL906615 0.70 CYP1A2 (0.41) KDM4EALDH1A1HPGDHIF1AIDO1

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 9 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-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-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-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
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 STK17B 1318/4885STK17A 1263/4885CA12 3876/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 STK17B 1318/4885STK17A 1263/4885CA12 3876/4885

“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.