SCHEMBL16100207

SCHEMBL16100207

O=C(O)c1cc2n(n1)CCCN(C(=O)OCCc1cc(Cl)cc(Cl)c1)C2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 15/20 0.38
▸ KCNH2 Q12809 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ GRIN2B Q13224 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
SCHEMBL16129728 0.91 ENPP2 (0.38) ENPP2KCNH2GRM5
SCHEMBL16100138 0.89 ENPP2 (0.42) ENPP2KCNH2
SCHEMBL16094524 0.85 TACR1 (0.34) CYP4F2CYP4A11FAAH
SCHEMBL16099316 0.84 NPC1 (0.39) ENPP2FAAHGRM5
SCHEMBL16100641 0.83 FAAH (0.45) ENPP2KCNH2FAAHGRM5
SCHEMBL16093608 0.81 ENPP2 (0.44) ENPP2KCNH2FAAH
SCHEMBL16103196 0.80 ENPP2 (0.41) ENPP2KCNH2
SCHEMBL16093662 0.80 ENPP2 (0.41) ENPP2KCNH2
SCHEMBL16100053 0.79 ENPP2 (0.41) ENPP2KCNH2
SCHEMBL16100467 0.79 GRIN2B (0.41) ENPP2GRIN2B

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 7 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
US-20150125422-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-05-07 — — US 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 (2 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-20150125422-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 ENPP2 3133/4885KCNH2 3720/4885CYP4F2 273/4885
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 ENPP2 1/4885KCNH2 2017/4885CYP4F2 4338/4885

“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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