SCHEMBL16101871

SCHEMBL16101871

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 17/20 0.39
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ PREP P48147 1/20 0.33

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 0.94 FAAH (0.38) GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL16100321 0.90 FAAH (0.38) GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL16100534 0.90 ENPP2 (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL16099634 0.89 TACR1 (0.34) GRM5NPC1RAB9ASMN1; SMN2TMEM97
SCHEMBL16099997 0.87 SMN1; SMN2 (0.39) GRM5NPC1RAB9ASMN1; SMN2TMEM97
SCHEMBL16099132 0.87 ENPP2 (0.38) GRM5NPC1RAB9ASMN1; SMN2TMEM97
SCHEMBL16102412 0.86 ENPP2 (0.41) GRM5NPC1RAB9ASMN1; SMN2TMEM97
SCHEMBL16100412 0.86 ENPP2 (0.40) —
SCHEMBL16103260 0.85 TACR1 (0.34) NPC1RAB9ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL16102205 0.85 MGLL (0.40) GRM5NPC1RAB9ASMN1; SMN2TMEM97

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 GRM5 1744/4885NPC1 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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