SCHEMBL7879747

SCHEMBL7879747

c1coc(-c2cnc3c(c2)nc2n3CCN(C3CCC3)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
MCL1 Q07820 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
PDE4B Q07343 2/20 0.32
PDE2A O00408 1/20 0.32

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
SCHEMBL420246 0.83 MAPT (0.48) KDM4EHSD17B10MAPTCASP1CASP7
SCHEMBL7879760 0.81 MAPT (0.42) KDM4EHSD17B10MAPTCASP1CASP7
SCHEMBL10176607 0.80 KDM2B (0.38) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7891527 0.78 HRH3 (0.33) MAPTSMN1; SMN2POLBHRH3
SCHEMBL13259274 0.78 KDM4E (0.37) KDM4EMAPTSMN1; SMN2HRH3HPGD
SCHEMBL7893583 0.78 HRH3 (0.46) HRH3
SCHEMBL7883678 0.78 AKT1 (0.35) HRH3
SCHEMBL7885180 0.78 LMNA (0.35) KDM4EMAPTSMN1; SMN2HRH3
SCHEMBL7885182 0.77 KDM4E (0.41) KDM4EMAPTSMN1; SMN2POLBHRH3
SCHEMBL7890660 0.77 HRH3 (0.37) KDM4EMAPTSMN1; SMN2POLBHRH3

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 CHRNB1 35/4885CHRNB2 22/4885CHRNB4 25/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CHRNB1 35/4885CHRNB2 22/4885CHRNB4 25/4885

“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.