SCHEMBL2473364

SCHEMBL2473364

CCOC(=O)C1CCN(c2ccc(-c3noc(-c4nn(CC)c5c4CCC(C)(C)C5)n3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LGMN Q99538 2/20 0.40
KDM4E B2RXH2 3/20 0.38
TP53 P04637 1/20 0.38
S1PR1 P21453 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PDK2 Q15119 1/20 0.35
ITGB3 P05106 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34

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
SCHEMBL2456203 0.91 S1PR1 (0.44) S1PR1
SCHEMBL2470518 0.87 ALOX5AP (0.40) MAPTALDH1A1SMN1; SMN2KDM4ETP53
SCHEMBL2474719 0.84 DGAT1 (0.39) MAPTTP53S1PR1NPC1LMNA
SCHEMBL3462747 0.84 MAPT (0.39) MAPTALDH1A1SMN1; SMN2S1PR1TSHR
SCHEMBL2472532 0.82 CDK4 (0.36) MAPTTP53S1PR1
SCHEMBL13262683 0.82 HDAC4 (0.42) MAPTALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL13262937 0.82 HDAC4 (0.40) MAPTS1PR1TSHRNPC1LMNA
SCHEMBL2470317 0.81 BCL2L1 (0.37) MAPTSMN1; SMN2KDM4ES1PR1TSHR
SCHEMBL2474869 0.80 S1PR1 (0.38) MAPTS1PR1
SCHEMBL2474311 0.80 NPC1 (0.39) MAPTS1PR1NPC1

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
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

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 MAPT 3569/4885ALDH1A1 1042/4885SMN1; SMN2 1494/4885

“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.