SCHEMBL16100378

SCHEMBL16100378

O=C(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCn2nccc2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ USP2 O75604 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NAAA Q02083 1/20 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
SCHEMBL16100249 0.81 MEN1 (0.37) MEN1KMT2AHRH3NPC1TDP1
SCHEMBL16100257 0.76 HRH3 (0.36) MEN1KMT2AHRH3USP2CYP3A4
SCHEMBL16093852 0.76 ENPP2 (0.47) —
SCHEMBL29680953 0.70 RIPK1 (0.39) MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4377229 0.69 HRH3 (0.52) HRH3CNR1USP2TSHRGAA
SCHEMBL22813668 0.68 HRH3 (0.67) MEN1KMT2AHRH3NPC1TDP1
SCHEMBL1836731 0.68 GPBAR1 (0.47) KDM4ENAAA
SCHEMBL29322341 0.67 HRH3 (0.66) MEN1KMT2AHRH3NPC1TDP1
SCHEMBL16129886 0.66 ENPP2 (0.42) TSHRCYP2D6
SCHEMBL16129750 0.66 ENPP2 (0.42) NPC1SMN1; 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 MEN1 687/4885KMT2A 2542/4885HRH3 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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