SCHEMBL3580284

SCHEMBL3580284

CC(C)(C)OC(=O)N1CCC(Oc2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.49
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
HRH2 P25021 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL5273706 1.00 GPR119 (0.55) GPR119SMN1; SMN2NPC1RAB9ADDB1
SCHEMBL30012105 0.90 GPR119 (0.53) GPR119SMN1; SMN2NPC1RAB9AHTT
SCHEMBL30011253 0.89 GPR119 (0.49) GPR119SMN1; SMN2NPC1RAB9AHTT
SCHEMBL30011616 0.88 GPR119 (0.48) GPR119SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5239182 0.87 GPR119 (0.63) GPR119SMN1; SMN2MAPTLMNA
SCHEMBL4694452 0.87 HRH3 (0.50) GPR119SMN1; SMN2NPC1RAB9AHTT
SCHEMBL30012256 0.86 GPR119 (0.47) GPR119SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5273710 0.86 SMN1; SMN2 (0.50) GPR119SMN1; SMN2NPC1RAB9AHTT
SCHEMBL30011475 0.86 GPR119 (0.52) GPR119SMN1; SMN2NPC1RAB9AHTT
SCHEMBL31198857 0.86 GPR119 (0.57) GPR119SMN1; SMN2NPC1RAB9ADDB1

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 338/4885SMN1; SMN2 1112/4885NPC1 1374/4885

“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.