SCHEMBL3587239

SCHEMBL3587239

CC(C)(C)OC(=O)N1CCC(Oc2ccc(CN3CCNCC3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.58
MLNR O43193 3/20 0.53
ADRB2 P07550 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CHEK2 O96017 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL13660321 0.88 HRH3 (0.60) GPR119ADRB2MEN1KMT2AHRH3
SCHEMBL5205491 0.87 HRH3 (0.60) GPR119ADRB2MEN1KMT2AHRH3
SCHEMBL12239153 0.84 GPR119 (0.60) GPR119ADRB2MEN1KMT2AHRH3
SCHEMBL22533161 0.84 GPR119 (0.61) GPR119CHEK2HRH3
SCHEMBL23373231 0.83 GPR119 (0.63) GPR119ADRB2MEN1KMT2ACHEK2
SCHEMBL3342716 0.83 GPR119 (0.66) GPR119CHEK2HRH3
SCHEMBL3583221 0.83 ADRB2 (0.58) ADRB2MEN1KMT2AKCNH2
SCHEMBL3344947 0.82 GPR119 (0.61) GPR119CHEK2HRH3
SCHEMBL28504355 0.82 GPR119 (0.61) GPR119CHEK2HRH3
SCHEMBL3342725 0.82 GPR119 (0.61) GPR119CHEK2HRH3

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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
EP-1567511-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004035556-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-29 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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 GPR119 338/4885MLNR 2698/4885ADRB2 152/4885

“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.