SCHEMBL16129709

SCHEMBL16129709

CCOC(=O)c1cc2n(n1)CCCN(C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ RBP4 P02753 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ XPO1 O14980 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16099914 0.88 ENPP2 (0.41) HPGDALDH1A1TSHRLMNAMAPT
SCHEMBL16100257 0.85 HRH3 (0.36) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16099794 0.84 BTK (0.35) ALDH1A1RAB9AKMT2AMAPTGAA
SCHEMBL16094402 0.82 TACR1 (0.42) HPGDALDH1A1TSHRRAB9AMEN1
SCHEMBL16093927 0.81 ALDH1A1 (0.38) HPGDALDH1A1KMT2ANPC1KDM4E
SCHEMBL16094151 0.81 TACR1 (0.38) HPGDALDH1A1TSHRRAB9AMEN1
SCHEMBL16100066 0.80 TACR1 (0.38) HPGDRAB9AMEN1KMT2ANPC1
SCHEMBL16100677 0.79 NPC1 (0.35) ALDH1A1TSHRRAB9AKMT2ANPC1
SCHEMBL16129819 0.78 ENPP2 (0.41) HPGDALDH1A1TSHRRAB9AMEN1
SCHEMBL16099642 0.78 TACR1 (0.39) HPGDALDH1A1RAB9AMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US 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 HPGD 3262/4885ALDH1A1 4063/4885TSHR 136/4885

“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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