SCHEMBL16100169

SCHEMBL16100169

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ GRM5 P41594 2/20 0.38
▸ P2RY12 Q9H244 2/20 0.37
▸ TMEM97 Q5BJF2 5/20 0.36
▸ SIGMAR1 Q99720 5/20 0.36
▸ THRB P10828 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ TRPC3 Q13507 1/20 0.35
▸ TRPC7 Q9HCX4 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 0.91 PTGDR2 (0.43) PTGDR2GRM5TMEM97SIGMAR1
SCHEMBL16099598 0.91 PTGDR2 (0.44) PTGDR2GRM5TMEM97SIGMAR1
SCHEMBL16099399 0.87 RAB9A (0.33) PTGDR2GRM5TMEM97SIGMAR1
SCHEMBL16099642 0.85 TACR1 (0.39) SIGMAR1
SCHEMBL3313601 0.82 L3MBTL1 (0.45) TMEM97SIGMAR1
SCHEMBL16103041 0.82 ENPP2 (0.42) —
SCHEMBL16099812 0.81 GRM5 (0.40) PTGDR2GRM5TMEM97SIGMAR1
SCHEMBL16094402 0.81 TACR1 (0.42) SIGMAR1
SCHEMBL16129819 0.79 ENPP2 (0.41) SIGMAR1
SCHEMBL16102646 0.78 ENPP2 (0.42) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1744/4885P2RY12 491/4885

“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.

Send feedback