SCHEMBL2087381

SCHEMBL2087381

O=C(O)c1cccc(OCCCN2CCCCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.77
ESR1 P03372 6/20 0.72
KDM4E B2RXH2 5/20 0.69
ALDH1A1 P00352 4/20 0.69
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.66

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
SCHEMBL2089187 0.99 HRH3 (0.75) HRH3ESR1KDM4EALDH1A1KMT2A
SCHEMBL19172409 0.93 HRH3 (0.71) HRH3ESR1KDM4E
SCHEMBL2741672 0.93 HRH3 (0.71) HRH3ESR1KDM4E
SCHEMBL18595108 0.93 HRH3 (0.71) HRH3ESR1KDM4E
SCHEMBL18265845 0.93 HRH3 (0.71) HRH3ESR1KDM4E
Hydrochloric Acid SCHEMBL224629 0.92 HRH3 (0.70) HRH3ESR1KDM4E
SCHEMBL9942403 0.92 HRH3 (0.69) HRH3ESR1KDM4EKMT2A
SCHEMBL11805320 0.90 HRH3 (0.71) HRH3ESR1KDM4EALDH1A1KMT2A
SCHEMBL11808821 0.90 HRH3 (0.71) HRH3ESR1KDM4EALDH1A1KMT2A
SCHEMBL11808005 0.89 HRH3 (0.69) HRH3ESR1KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2008-07-03 US claimed
EP-1866294-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP claimed
WO-2006103057-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2006-10-05 WO claimed
US-7863450-B2 Compounds comprising an oxazoline or thiazoline moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2011-01-04 US disclosed
US-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2008-07-03 US disclosed
EP-1866294-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP disclosed
WO-2006103057-A1 COMPOUNDS COMPRISING AN OXAZOLINE OR THIAZOLINE 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-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses NR1H3, NR1I3, NR1I2 HRH3 196/4885ESR1 172/4885KDM4E 3442/4885

“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.