SCHEMBL16099598

SCHEMBL16099598

O=C(O)c1cc2n(n1)CCCN(C(=O)OCc1cc(F)cc(-c3ccccc3)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.44
▸ GRM5 P41594 10/20 0.40
▸ TMEM97 Q5BJF2 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ GRIN2B Q13224 1/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 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
SCHEMBL16129849 0.93 PTGDR2 (0.43) PTGDR2GRM5TMEM97SIGMAR1DPP4
SCHEMBL16100169 0.91 PTGDR2 (0.42) PTGDR2GRM5TMEM97SIGMAR1
SCHEMBL16099812 0.90 GRM5 (0.40) PTGDR2GRM5TMEM97SIGMAR1DPP4
SCHEMBL16100641 0.86 FAAH (0.45) PTGDR2GRM5
SCHEMBL16100107 0.86 GRM5 (0.36) PTGDR2GRM5TMEM97SIGMAR1DPP4
SCHEMBL16093646 0.84 ENPP2 (0.40) PTGDR2GRM5SIGMAR1
SCHEMBL16103128 0.83 GRM5 (0.36) PTGDR2GRM5TMEM97SIGMAR1DPP4
SCHEMBL16100138 0.80 ENPP2 (0.42) —
SCHEMBL25411353 0.80 MEN1 (0.48) GRM5TMEM97SIGMAR1CYP4F2CYP4A11
SCHEMBL16099623 0.80 TACR1 (0.39) SIGMAR1

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 PTGDR2 444/4885GRM5 1744/4885TMEM97 733/4885

“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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