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SCHEMBL1338348

SCHEMBL1338348

CCOC(=O)CCN1CCN(c2ccc(-c3noc(-c4cnc(CC)c5c4CCC(C)(C)C5)n3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.43
▸ S1PR1 P21453 4/20 0.38
▸ S1PR3 Q99500 3/20 0.38
▸ LMNA P02545 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ HRH2 P25021 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ HTR1A P08908 1/20 0.35

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
SCHEMBL1338632 0.92 S1PR1 (0.40) ALOX5APS1PR1S1PR3LMNATSHR
SCHEMBL2473744 0.84 ALOX5AP (0.42) ALOX5APS1PR1S1PR3LMNATSHR
SCHEMBL2470518 0.81 ALOX5AP (0.40) ALOX5APLMNATSHRUSP2MAPT
SCHEMBL13263002 0.79 ALOX5AP (0.42) ALOX5APLMNATSHRUSP2MAPT
SCHEMBL1338656 0.76 S1PR1 (0.43) S1PR1S1PR3LMNAMAPTNPC1
SCHEMBL1337404 0.75 S1PR1 (0.37) S1PR1S1PR3MAPTPOLBCYP2C9
SCHEMBL1338579 0.74 CA9 (0.45) S1PR1
SCHEMBL1337963 0.74 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL2472515 0.73 BCL2L1 (0.40) ALOX5APS1PR1S1PR3LMNATSHR
SCHEMBL1336495 0.73 S1PR1 (0.43) S1PR1S1PR3POLBTP53

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
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 — — EP disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 — — US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 — — US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 — — US disclosed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 — — US disclosed
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 — — EP disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 — — WO disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 — — 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-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS S1PR1, S1PR3, S1PR2 ALOX5AP 762/4885S1PR1 1/4885S1PR3 2/4885

“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.