SCHEMBL16102205

SCHEMBL16102205

O=C(O)C1CC2CCCC(C1)N2C(=O)c1cc2n(n1)CCN(C(=O)OCc1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ S1PR1 P21453 7/20 0.38
▸ S1PR5 Q9H228 7/20 0.38
▸ PDGFRA P16234 2/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ ATXN2 Q99700 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ PRKX P51817 1/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL16103043 0.96 MGLL (0.40) MGLLGRM5S1PR1S1PR5PDGFRA
SCHEMBL16099634 0.92 TACR1 (0.34) GRM5RAB9ASMN1; SMN2NPC1ENPP2
SCHEMBL16099132 0.92 ENPP2 (0.38) MGLLGRM5RAB9ASMN1; SMN2NPC1
SCHEMBL16102412 0.89 ENPP2 (0.41) GRM5S1PR1S1PR5RAB9ASMN1; SMN2
SCHEMBL16103260 0.88 TACR1 (0.34) RAB9ASMN1; SMN2NPC1ENPP2ATXN2
SCHEMBL16100450 0.88 ENPP2 (0.37) RAB9ASMN1; SMN2NPC1ENPP2ATXN2
SCHEMBL16099965 0.86 KDM4E (0.43) GRM5NPC1MEN1KMT2A
SCHEMBL16099815 0.86 ENPP2 (0.41) S1PR1S1PR5RAB9ASMN1; SMN2NPC1
SCHEMBL16101871 0.85 GRM5 (0.39) GRM5RAB9ASMN1; SMN2NPC1TMEM97
SCHEMBL16129904 0.85 GRM5 (0.37) GRM5ENPP2ATXN2TMEM97SIGMAR1

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 MGLL 558/4885GRM5 1744/4885S1PR1 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.

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