SCHEMBL16101306

SCHEMBL16101306

O=C(O)C1CC2CCCC(C1)N2C(=O)c1cc2n(n1)CCN(C(=O)NCc1cc(F)cc(F)c1)C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GRM5 P41594 5/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL16100488 0.96 ALDH1A1 (0.35) HRH3ALDH1A1TSHRGRM5MEN1
SCHEMBL16102856 0.94 GRM5 (0.38) HRH3ALDH1A1TSHRGRM5MEN1
SCHEMBL16102917 0.90 GRM5 (0.34) HRH3ALDH1A1TSHRGRM5MEN1
SCHEMBL16100664 0.90 EPHX2 (0.38) HRH3GRM5MEN1KMT2ANPSR1
SCHEMBL16099800 0.87 EPHX2 (0.41) HRH3KMT2ANPSR1EPHX2MAPK1
SCHEMBL16099331 0.87 HRH3 (0.39) HRH3ALDH1A1TSHRGRM5MEN1
SCHEMBL16100455 0.86 F2 (0.41) HRH3F2MAPK1
SCHEMBL16099089 0.86 GRIN2B (0.37) HRH3MEN1KMT2ANPSR1EPHX2
SCHEMBL16099965 0.85 KDM4E (0.43) HRH3TSHRGRM5MEN1KMT2A
SCHEMBL16101871 0.85 GRM5 (0.39) GRM5SMN1; SMN2

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 HRH3 835/4885ALDH1A1 4063/4885TSHR 136/4885

“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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