SCHEMBL16099316

SCHEMBL16099316

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ENPP2 Q13822 5/20 0.37
▸ ATXN2 Q99700 3/20 0.37
▸ NAAA Q02083 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ CNR1 P21554 1/20 0.34

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
SCHEMBL16100162 0.93 GRM5 (0.40) ENPP2ATXN2MEN1MAPTKMT2A
SCHEMBL16100207 0.84 ENPP2 (0.38) ENPP2GRM5FAAH
SCHEMBL16100249 0.84 MEN1 (0.37) NPC1TDP1NAAAHPGDSMN1; SMN2
SCHEMBL16102126 0.81 POLB (0.34) NPC1TDP1ENPP2ATXN2HPGD
SCHEMBL16100467 0.81 GRIN2B (0.41) TDP1ENPP2ATXN2SMN1; SMN2MEN1
SCHEMBL16100138 0.81 ENPP2 (0.42) ENPP2ATXN2
SCHEMBL16100220 0.79 GRM5 (0.39) ENPP2ATXN2F2GRM5
SCHEMBL16099626 0.79 FKBP1A (0.41) NPC1ENPP2ATXN2HPGDSMN1; SMN2
SCHEMBL31739702 0.76 GRM5 (0.38) GRM5
SCHEMBL16102001 0.76 POLB (0.34) ENPP2ATXN2MEN1MAPTKMT2A

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 NPC1 1600/4885TDP1 1068/4885ENPP2 1/4885

“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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