SCHEMBL3086879

SCHEMBL3086879

[CH2]CCN1CCCC1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
SLC6A9 P48067 1/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR4 O95977 1/20 0.32
OPRD1 P41143 1/20 0.31
SPHK2 Q9NRA0 2/20 0.31
SPHK1 Q9NYA1 2/20 0.31

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
SCHEMBL12039770 0.83 HRH3 (0.41) HRH3SLC6A9HTTL3MBTL1S1PR1
SCHEMBL20755956 0.83 HRH3 (0.41) HRH3SLC6A9HTTL3MBTL1S1PR1
SCHEMBL23686000 0.81 HRH3 (0.41) HRH3SLC6A9HTTL3MBTL1S1PR1
SCHEMBL6961891 0.81 HRH3 (0.41) HRH3SLC6A9HTTL3MBTL1S1PR1
SCHEMBL24577733 0.81 HRH3 (0.41) HRH3SLC6A9HTTL3MBTL1S1PR1
SCHEMBL17834068 0.81 HRH3 (0.41) HRH3SLC6A9HTTL3MBTL1S1PR1
SCHEMBL12621129 0.81 HRH3 (0.41) HRH3SLC6A9HTTL3MBTL1S1PR1
SCHEMBL27290410 0.80 S1PR1 (0.47) HRH3HTTL3MBTL1S1PR1S1PR3
SCHEMBL25982061 0.79 GBA1 (0.41) HRH3SLC6A9S1PR1S1PR3S1PR5
SCHEMBL25982063 0.79 HRH3 (0.39) HRH3SLC6A9HTTL3MBTL1S1PR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790720-B2 Compounds comprising an oxazole or thiazole moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2010-09-07 US disclosed
US-20080275046-A1 Compounds Comprising an Oxazole or Thiazole Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2008-11-06 US disclosed
EP-1866293-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP disclosed
WO-2006103045-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA S.A. (BE) 2006-10-05 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-20080275046-A1 Compounds Comprising an Oxazole or Thiazole Moiety, Processes for Making Them, and Their Uses OXER1, OXTR, OGFR HRH3 4/4885SLC6A9 2420/4885HTT 2119/4885

“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.