SCHEMBL3581534

SCHEMBL3581534

O=[C]NC1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.50
EPHX2 P34913 7/20 0.48
KDM1A O60341 1/20 0.46
CYP2C19 P33261 1/20 0.40
PARP1 P09874 1/20 0.36
RIPK1 Q13546 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21784381 0.79 KDM1A (0.56) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL11942148 0.78 EPHX1 (0.53) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL4131627 0.76 EPHX1 (0.59) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL771580 0.76 EPHX2 (0.53) EPHX1EPHX2KDM1A
SCHEMBL23490137 0.75 EPHX1 (0.57) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL3581538 0.75 EPHX1 (0.50) EPHX1EPHX2KDM1ACYP2C19PARP1
Trifluoroacetic Acid SCHEMBL4513278 0.74 EPHX1 (0.49) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL4140326 0.73 EPHX1 (0.46) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL770648 0.73 EPHX1 (0.47) EPHX1EPHX2ALDH1A1
SCHEMBL5758149 0.72 EPHX1 (0.46) EPHX1EPHX2KDM1ARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US claimed
EP-2049548-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2009-04-22 EP claimed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 WO claimed
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
EP-2049548-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 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-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands HRH3, HRH4, HRH2 EPHX1 845/4885EPHX2 477/4885KDM1A 2040/4885

“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.