SCHEMBL3584231

SCHEMBL3584231

CC(C)(C)OC(=O)N1CCC(Oc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.53
HRH3 Q9Y5N1 3/20 0.53
HRH1 P35367 2/20 0.53
ADRB2 P07550 1/20 0.52
HSP90AA1 P07900 1/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC6A7 Q99884 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL5239182 0.88 GPR119 (0.63) GPR119MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3073527 0.86 GPR119 (0.65) GPR119HRH3ALDH1A1MEN1KMT2A
SCHEMBL6471895 0.83 HRH3 (0.54) HRH3HRH1ADRB2HSP90AA1MAPT
SCHEMBL3586374 0.82 HRH3 (0.72) HRH3HRH1ADRB2HSP90AA1SMN1; SMN2
SCHEMBL3574534 0.82 HRH3 (0.68) HRH3HRH1ADRB2HSP90AA1KDM4E
SCHEMBL19838602 0.82 GPR119 (0.61) GPR119HRH3ADRB2ALDH1A1MEN1
SCHEMBL3093877 0.81 MEN1 (0.68) HSP90AA1MEN1KMT2A
SCHEMBL1809345 0.81 ADRB2 (0.71) HRH3HRH1ADRB2KDM4EALDH1A1
SCHEMBL20142379 0.81 ALDH1A1 (0.67) GPR119MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3580329 0.81 HSP90AA1 (0.57) HRH3HRH1ADRB2HSP90AA1MAPT

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 338/4885HRH3 1/4885HRH1 4/4885

“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.