SCHEMBL16094142

SCHEMBL16094142

O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCn2nc(C(=O)N3CCC(F)CC3)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ TACR1 P25103 3/20 0.36
▸ CYP3A4 P08684 4/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ ATXN2 Q99700 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RHOA P61586 3/20 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
SCHEMBL16094293 0.94 SCN9A (0.37) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16129760 0.92 TACR1 (0.38) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16093894 0.91 MEN1 (0.38) ENPP2HTR2AABATSIGMAR1CYP3A4
SCHEMBL16129850 0.89 SCN9A (0.38) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16093743 0.89 SCN9A (0.38) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16129734 0.89 MEN1 (0.39) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16129885 0.89 TACR1 (0.38) ENPP2HTR2AABATSIGMAR1TACR1
Hydrochloric Acid SCHEMBL16100508 0.88 SCN9A (0.37) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16129896 0.88 ENPP2 (0.37) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16129638 0.87 ENPP2 (0.42) ENPP2HTR2AABATSIGMAR1TACR1

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 ENPP2 1/4885HTR2A 217/4885ABAT 3879/4885

“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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