SCHEMBL16101985

SCHEMBL16101985

CCOC(=O)c1cc2n(n1)CCN(C(=O)OCc1cc(Cl)cc(C(F)(F)F)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.43
▸ ATXN2 Q99700 1/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 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
SCHEMBL16102646 0.95 ENPP2 (0.42) ENPP2ATXN2MEN1KMT2ATACR1
SCHEMBL16100235 0.94 TACR1 (0.46) ENPP2ATXN2MEN1KMT2ATACR1
SCHEMBL16100530 0.89 ENPP2 (0.46) ENPP2ATXN2MEN1KMT2ATACR1
SCHEMBL16094402 0.88 TACR1 (0.42) ENPP2ATXN2MEN1KMT2ATACR1
SCHEMBL16129819 0.86 ENPP2 (0.41) ENPP2ATXN2MEN1KMT2ATACR1
SCHEMBL16129775 0.85 ENPP2 (0.45) ENPP2ATXN2MEN1KMT2ATACR1
SCHEMBL16103041 0.85 ENPP2 (0.42) ENPP2KCNH2
SCHEMBL16099642 0.85 TACR1 (0.39) ENPP2ATXN2MEN1KMT2ATACR1
SCHEMBL16129902 0.84 ENPP2 (0.46) ENPP2ATXN2TACR1KCNH2
SCHEMBL16100603 0.84 ENPP2 (0.46) ENPP2ATXN2MEN1KMT2ATACR1

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 ENPP2 1/4885ATXN2 110/4885MEN1 687/4885

“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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