SCHEMBL2474886

SCHEMBL2474886

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
ACHE P22303 3/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 7/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ADORA1 P30542 2/20 0.32
TP53 P04637 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ELANE P08246 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL2473191 0.85 CCNA2 (0.38) OPRM1ACHEKDM4EMAPTCCNA2
SCHEMBL2470457 0.84 OPRM1 (0.39) OPRM1ACHEKDM4EMAPTCCNA2
SCHEMBL2534722 0.81 ACHE (0.34) OPRM1ACHEKDM4EMAPTCCNA2
SCHEMBL2473696 0.79 ALDH1A1 (0.53) OPRM1KDM4EMAPTMEN1ALOX15
SCHEMBL2473575 0.79 PDE4A (0.40) OPRM1ACHECCNA2CDK2CCNA1
SCHEMBL3462655 0.77 DRD2 (0.36) ACHEKDM4EMAPTMEN1KMT2A
SCHEMBL2469013 0.76 CYP19A1 (0.48) OPRM1KDM4EMAPTALDH1A1HPGD
SCHEMBL26108237 0.75 ELANE (0.34) OPRM1ACHEMAPTMEN1KMT2A
SCHEMBL2472715 0.72 GABRA1 (0.46) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL11901071 0.71 CCNA2 (0.40) KDM4EMAPTCCNA2CDK2CCNA1

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 8 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
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
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 OPRM1 224/4885ACHE 4664/4885KDM4E 3834/4885

“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.