SCHEMBL16094524

SCHEMBL16094524

O=C(O)c1cc2n(n1)CCCN(C(=O)OCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.34
▸ CYP2D6 P10635 5/20 0.34
▸ TSHR P16473 5/20 0.34
▸ CYP3A4 P08684 5/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ PTGER1 P34995 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RBP4 P02753 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ FAAH O00519 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL16099623 0.90 TACR1 (0.39) TACR1CYP2D6TSHRCYP3A4CYP1A2
SCHEMBL16094151 0.89 TACR1 (0.38) TACR1CYP2D6TSHRALDH1A1MEN1
SCHEMBL16100249 0.85 MEN1 (0.37) CYP2D6TSHRCYP3A4PTGER1MGLL
SCHEMBL16100207 0.85 ENPP2 (0.38) CYP4F2CYP4A11FAAH
SCHEMBL16093646 0.85 ENPP2 (0.40) TACR1PTGER1MGLLFAAH
SCHEMBL16094214 0.84 ENPP2 (0.42) TACR1PTGER1MGLLMEN1KMT2A
SCHEMBL16093608 0.84 ENPP2 (0.44) TACR1MGLLFAAH
SCHEMBL16102274 0.84 TACR1 (0.42) TACR1PTGER1MGLLCYP4F2CYP4A11
SCHEMBL16100043 0.83 ENPP2 (0.42) PTGER1MGLL
SCHEMBL16102231 0.83 MGLL (0.47) PTGER1MGLLALDH1A1MEN1KMT2A

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 TACR1 662/4885CYP2D6 4809/4885TSHR 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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