SCHEMBL16102856

SCHEMBL16102856

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAPK1 P28482 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ METAP2 P50579 6/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL16102917 0.96 GRM5 (0.34) GRM5KCNH2MAPK1EPHX2HRH3
SCHEMBL16100664 0.94 EPHX2 (0.38) GRM5KCNH2MAPK1EPHX2HRH3
SCHEMBL16101306 0.94 HRH3 (0.36) GRM5KCNH2MAPK1EPHX2HRH3
SCHEMBL16100488 0.90 ALDH1A1 (0.35) GRM5MAPK1HRH3ALDH1A1TSHR
SCHEMBL16099089 0.90 GRIN2B (0.37) KCNH2MAPK1EPHX2HRH3GRIN2B
SCHEMBL16100455 0.89 F2 (0.41) MAPK1HRH3
SCHEMBL16099800 0.89 EPHX2 (0.41) MAPK1EPHX2HRH3KMT2A
SCHEMBL16099903 0.86 FAAH (0.38) GRM5KCNH2FAAHMGLL
SCHEMBL16100285 0.86 F2 (0.40) MAPK1EPHX2HRH3P2RX7
SCHEMBL16102807 0.85 KMT2A (0.39) MAPK1EPHX2HRH3KMT2A

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 GRM5 1744/4885KCNH2 2017/4885MAPK1 2315/4885

“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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