SCHEMBL16100249

SCHEMBL16100249

O=C(O)c1cc2n(n1)CCCN(C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ MGLL Q99685 3/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FAAH O00519 2/20 0.33
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL16100257 0.86 HRH3 (0.36) MEN1KMT2AHRH3CYP3A4CYP2D6
SCHEMBL16094524 0.85 TACR1 (0.34) MEN1KMT2APTGER1MGLLCYP3A4
SCHEMBL16099316 0.84 NPC1 (0.39) MEN1KMT2ANPC1TDP1CNR1
SCHEMBL16129778 0.82 TACR1 (0.38) NPC1
SCHEMBL16094187 0.82 BTK (0.38) NPC1SMN1; SMN2
SCHEMBL16099623 0.82 TACR1 (0.39) PTGER1MGLLCYP3A4CYP2D6TSHR
SCHEMBL16099914 0.82 ENPP2 (0.41) TDP1TSHRHPGDSMN1; SMN2
SCHEMBL17509125 0.81 CCR2 (0.36) HRH3PTGER1CYP3A4CYP2D6TSHR
SCHEMBL16100378 0.81 MEN1 (0.40) MEN1KMT2ANPC1TDP1HRH3
SCHEMBL16093646 0.77 ENPP2 (0.40) PTGER1MGLLFAAH

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 2542/4885NPC1 1600/4885

“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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