SCHEMBL16100107

SCHEMBL16100107

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ GRIN2B Q13224 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ F13A1 P00488 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ TGM1 P22735 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ TMEM97 Q5BJF2 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ ENPP2 Q13822 2/20 0.32
▸ ATXN2 Q99700 2/20 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
SCHEMBL16099812 0.93 GRM5 (0.40) GRM5PTGDR2FAAHMGLLGRIN2B
SCHEMBL16099399 0.89 RAB9A (0.33) GRM5PTGDR2GRIN2BTMEM97SIGMAR1
SCHEMBL16100641 0.88 FAAH (0.45) GRM5PTGDR2FAAHMGLLENPP2
SCHEMBL16093646 0.87 ENPP2 (0.40) GRM5PTGDR2FAAHMGLLSIGMAR1
SCHEMBL16103128 0.86 GRM5 (0.36) GRM5PTGDR2CYP4F2CYP4A11DPP4
SCHEMBL16099598 0.86 PTGDR2 (0.44) GRM5PTGDR2GRIN2BCYP4F2CYP4A11
SCHEMBL16100138 0.85 ENPP2 (0.42) ENPP2ATXN2
SCHEMBL16099623 0.82 TACR1 (0.39) MGLLSIGMAR1ENPP2ATXN2
SCHEMBL16100043 0.79 ENPP2 (0.42) PTGDR2MGLLGRIN2BTMEM97SIGMAR1
SCHEMBL16129849 0.79 PTGDR2 (0.43) GRM5PTGDR2DPP4TMEM97SIGMAR1

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 1744/4885PTGDR2 444/4885FAAH 306/4885

“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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