SCHEMBL16099134

SCHEMBL16099134

O=C(O)C1CC2CCCC(C1)N2C(=O)c1cc2n(n1)CCCN(C(=O)NCc1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PLA2G1B P04054 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ CCR2 P41597 2/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ TEAD1 P28347 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CHRM4 P08173 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL16099965 0.96 KDM4E (0.43) KDM4EHRH3KMT2ATSHRPLA2G1B
SCHEMBL16100456 0.92 HRH3 (0.39) HRH3TSHRP2RX7CCR2
SCHEMBL16100285 0.89 F2 (0.40) HRH3PKMP2RX7
SCHEMBL16099331 0.88 HRH3 (0.39) HRH3KMT2ATSHRP2RX7CCR2
SCHEMBL16103043 0.87 MGLL (0.40) KMT2ANPC1MEN1
SCHEMBL16100455 0.85 F2 (0.41) HRH3PKM
SCHEMBL16100488 0.85 ALDH1A1 (0.35) HRH3KMT2ATSHRMEN1
SCHEMBL16102807 0.84 KMT2A (0.39) HRH3KMT2APKM
SCHEMBL16099089 0.84 GRIN2B (0.37) HRH3KMT2AMEN1
SCHEMBL16102205 0.83 MGLL (0.40) KMT2ANPC1MEN1

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 KDM4E 3129/4885HRH3 835/4885KMT2A 2542/4885

“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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