SCHEMBL3080548

SCHEMBL3080548

[CH2]CCCN1CCCCC1C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.51
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
HRH3 Q9Y5N1 7/20 0.43
MAOB P27338 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL2099968 0.88 CXCR4 (0.46) CXCR4HRH3ALDH1A1
SCHEMBL616053 0.88 CXCR4 (0.46) CXCR4HRH3ALDH1A1
SCHEMBL2098979 0.88 CXCR4 (0.46) CXCR4HRH3ALDH1A1
SCHEMBL23828669 0.87 CXCR4 (0.57) CXCR4SCN1ASCN2ASCN3AHRH3
SCHEMBL30603861 0.87 CXCR4 (0.57) CXCR4SCN1ASCN2ASCN3AHRH3
SCHEMBL2100958 0.86 CXCR4 (0.45) CXCR4HRH3ALDH1A1
SCHEMBL2100067 0.86 CXCR4 (0.45) CXCR4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL11420799 0.83 CXCR4 (0.54) CXCR4SCN1ASCN2ASCN3AHRH3
SCHEMBL18768683 0.83 CXCR4 (0.51) CXCR4HRH3ALDH1A1
SCHEMBL30598328 0.82 CXCR4 (0.53) CXCR4SCN1ASCN2ASCN3AHRH3

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 CXCR4 193/4885SCN1A 2330/4885SCN2A 2986/4885

“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.