SCHEMBL864809

SCHEMBL864809

c1cc2c(cc1CN1CCOCC1)CC1(CCN3CCCC3C1)O2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL863954 0.97 HRH3 (0.44) HRH3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7856596 0.97 HRH3 (0.44) HRH3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7849312 0.97 HRH3 (0.44) HRH3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10191845 0.97 HRH3 (0.44) HRH3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7849634 0.97 HRH3 (0.44) HRH3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7856898 0.97 HRH3 (0.44) HRH3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL863321 0.93 HRH3 (0.40) HRH3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10192272 0.92 MEN1 (0.43) HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL863860 0.91 HRH3 (0.52) HRH3
SCHEMBL10192274 0.90 MEN1 (0.43) HRH3MEN1KMT2ASMN1; SMN2

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
EP-2440563-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-04-18 EP disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
WO-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 WO disclosed
WO-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 WO 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-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885MEN1 1150/4885KMT2A 559/4885

“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.