SCHEMBL16099997

SCHEMBL16099997

O=C(O)C1CC2CCCC(C1)N2C(=O)c1cc2n(n1)CCN(C(=O)OCc1ccc(Cl)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ENPP2 Q13822 5/20 0.37
▸ TMEM97 Q5BJF2 6/20 0.37
▸ SIGMAR1 Q99720 6/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ HRH2 P25021 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 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
SCHEMBL16101350 0.96 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AENPP2TMEM97
SCHEMBL16100534 0.92 ENPP2 (0.41) SMN1; SMN2NPC1RAB9AENPP2ATXN2
SCHEMBL16102412 0.92 ENPP2 (0.41) SMN1; SMN2NPC1RAB9AENPP2TMEM97
SCHEMBL16099132 0.90 ENPP2 (0.38) SMN1; SMN2NPC1RAB9AENPP2TMEM97
SCHEMBL16099815 0.89 ENPP2 (0.41) SMN1; SMN2NPC1RAB9AENPP2TMEM97
SCHEMBL16099903 0.89 FAAH (0.38) SMN1; SMN2NPC1RAB9AENPP2GRM5
SCHEMBL16100412 0.88 ENPP2 (0.40) ENPP2
SCHEMBL16101871 0.87 GRM5 (0.39) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL16100542 0.86 ENPP2 (0.41) ENPP2
SCHEMBL16100450 0.85 ENPP2 (0.37) SMN1; SMN2NPC1RAB9AENPP2TMEM97

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
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO claimed
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — 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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 SMN1; SMN2 608/4885NPC1 1600/4885RAB9A 1680/4885

“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.

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