SCHEMBL2534722

SCHEMBL2534722

CCOC(=O)c1nn(CC(F)(F)F)c2c1CCC(C)(C)C2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
TP53 P04637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CACNA1G O43497 3/20 0.32
CACNA1H O95180 3/20 0.32
CACNA1I Q9P0X4 2/20 0.32
ADORA1 P30542 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CCNA1 P78396 2/20 0.31
TRPM2 O94759 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL2470457 0.87 OPRM1 (0.39) ACHEOPRM1TP53KDM4EALDH1A1
SCHEMBL13344635 0.86
SCHEMBL2530347 0.84 CCNA2 (0.34) CACNA1GCACNA1HCACNA1ICCNA2CDK2
SCHEMBL2473575 0.82 PDE4A (0.40) ACHEOPRM1ALDH1A1CCNA2CDK2
SCHEMBL2474886 0.81 OPRM1 (0.36) ACHEOPRM1TP53KDM4EALDH1A1
SCHEMBL2473191 0.81 CCNA2 (0.38) ACHEOPRM1TP53KDM4EALDH1A1
SCHEMBL2469013 0.79 CYP19A1 (0.48) OPRM1KDM4EALDH1A1HPGDMAPT
SCHEMBL3462655 0.77 DRD2 (0.36) ACHEKDM4EALDH1A1CACNA1GCACNA1H
SCHEMBL2473760 0.76 PDE4A (0.38) TP53KDM4EALDH1A1HPGDMAPT
SCHEMBL31700157 0.76 ADORA1 (0.38) ALDH1A1ADORA1CCNA2CDK2CCNA1

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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 ACHE 4664/4885OPRM1 224/4885OPRD1 110/4885

“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.