SCHEMBL16100321

SCHEMBL16100321

O=C(O)C1CC2CCCC(C1)N2C(=O)c1cc2n(n1)CCCN(C(=O)OCc1cc(F)cc(Cl)c1)C2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ ENPP2 Q13822 16/20 0.37
▸ KCNH2 Q12809 2/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL16099903 0.96 FAAH (0.38) FAAHMGLLENPP2KCNH2GRM5
SCHEMBL16100412 0.94 ENPP2 (0.40) ENPP2KCNH2
SCHEMBL16100542 0.92 ENPP2 (0.41) ENPP2KCNH2
SCHEMBL16101871 0.90 GRM5 (0.39) GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL16100534 0.90 ENPP2 (0.41) ENPP2KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL16101350 0.89 SMN1; SMN2 (0.38) ENPP2NPC1RAB9ASMN1; SMN2
SCHEMBL16099815 0.88 ENPP2 (0.41) ENPP2NPC1RAB9ASMN1; SMN2
SCHEMBL16099654 0.87 ENPP2 (0.42) ENPP2KCNH2
SCHEMBL16102917 0.86 GRM5 (0.34) FAAHMGLLENPP2KCNH2GRM5
SCHEMBL16102199 0.86 ENPP2 (0.39) ENPP2KCNH2

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 FAAH 306/4885MGLL 558/4885ENPP2 1/4885

“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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