SCHEMBL2472183

SCHEMBL2472183

CCn1nc(-c2nc(-c3ccc(C(=O)OC)cc3C3CC3)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NR1H4 Q96RI1 11/20 0.33
PLAT P00750 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
IDH1 O75874 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
SCHEMBL3462797 0.91 S1PR1 (0.38) NR1H4S1PR1S1PR3
SCHEMBL3463052 0.90 CYP2D6 (0.33) OPRM1S1PR1S1PR3
SCHEMBL3462269 0.89 MAPT (0.38) OPRM1MAPTALDH1A1NPC1RAB9A
SCHEMBL2476261 0.87 RARB (0.37) OPRM1MAPTALDH1A1NPC1RAB9A
SCHEMBL2833598 0.83 HSP90AA1 (0.31) S1PR1
SCHEMBL2469010 0.78 S1PR1 (0.38) NR1H4S1PR1S1PR3ATM
SCHEMBL3462747 0.77 MAPT (0.39) OPRM1MAPTALDH1A1S1PR1S1PR3
SCHEMBL2474605 0.77 RARB (0.45) S1PR1
SCHEMBL2474503 0.77 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL2474869 0.77 S1PR1 (0.38) MAPTNR1H4S1PR1S1PR3

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-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
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 224/4885MAPT 3569/4885ALDH1A1 1042/4885

“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.