SCHEMBL16100455

SCHEMBL16100455

O=C(O)C1CC2CCCC(C1)N2C(=O)c1cc2n(n1)CCN(C(=O)NCc1cccc(Cl)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ BTK Q06187 1/20 0.38

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
SCHEMBL16100285 0.97 F2 (0.40) F2MAPK1HRH3PKMPOLB
SCHEMBL16100664 0.93 EPHX2 (0.38) F2MAPK1HRH3
SCHEMBL16099800 0.92 EPHX2 (0.41) MAPK1HRH3PKMPOLB
SCHEMBL16099965 0.89 KDM4E (0.43) HRH3PKM
SCHEMBL16102856 0.89 GRM5 (0.38) MAPK1HRH3
SCHEMBL16099089 0.89 GRIN2B (0.37) MAPK1HRH3POLB
SCHEMBL16102807 0.88 KMT2A (0.39) MAPK1HRH3PKMPOLB
SCHEMBL16102412 0.85 ENPP2 (0.41) HRH3
SCHEMBL16099134 0.85 KDM4E (0.42) HRH3PKM
SCHEMBL16102917 0.85 GRM5 (0.34) MAPK1HRH3

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 F2 1539/4885MAPK1 2315/4885HRH3 835/4885

“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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