SCHEMBL16100162

SCHEMBL16100162

O=C(O)c1cc2n(n1)CCN(C(=O)CCc1cc(Cl)cc(Cl)c1)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ENPP2 Q13822 4/20 0.38
▸ ATXN2 Q99700 2/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ FAAH O00519 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
SCHEMBL16099316 0.93 NPC1 (0.39) GRM5MEN1MAPTKMT2AENPP2
SCHEMBL16099626 0.85 FKBP1A (0.41) GRM5MEN1MAPTKMT2AENPP2
SCHEMBL16100220 0.83 GRM5 (0.39) GRM5ENPP2ATXN2F2HDAC6
SCHEMBL16099477 0.81 POLB (0.35) GRM5MEN1MAPTKMT2AENPP2
SCHEMBL16102001 0.80 POLB (0.34) GRM5MEN1MAPTKMT2AENPP2
SCHEMBL16100249 0.77 MEN1 (0.37) MEN1KMT2ACNR1FAAH
SCHEMBL16100207 0.77 ENPP2 (0.38) GRM5ENPP2CYP4F2CYP4A11KCNH2
SCHEMBL16102126 0.75 POLB (0.34) GRM5ENPP2ATXN2F2
SCHEMBL25412001 0.75 GRM5 (0.46) GRM5CYP4F2CYP4A11HDAC6
SCHEMBL2526693 0.75 HDAC6 (0.55) GRM5MEN1MAPTKMT2AHDAC6

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 GRM5 3340/4885MEN1 4761/4885MAPT 4174/4885
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 GRM5 1744/4885MEN1 687/4885MAPT 3910/4885

“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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