SCHEMBL16093882

SCHEMBL16093882

O=C(O)c1nn2c(c1Br)CN(C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCC2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 8/20 0.37
▸ ENPP2 Q13822 6/20 0.37
▸ ATXN2 Q99700 3/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ ABAT P80404 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP2D6 P10635 4/20 0.35
▸ TSHR P16473 4/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PTGER1 P34995 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
SCHEMBL16129883 0.89 TACR1 (0.38) TACR1ENPP2ATXN2HTR2AABAT
SCHEMBL16099088 0.89 TACR1 (0.41) TACR1ENPP2ATXN2HTR2AABAT
SCHEMBL16094360 0.89 ENPP2 (0.40) TACR1ENPP2ATXN2HTR2AABAT
SCHEMBL16093945 0.84 TACR1 (0.38) TACR1ENPP2ATXN2HTR2AABAT
SCHEMBL16099833 0.83 ENPP2 (0.45) ENPP2ATXN2
SCHEMBL16093926 0.82 ENPP2 (0.41) TACR1ENPP2ATXN2HTR2AABAT
SCHEMBL16102491 0.80 ENPP2 (0.38) TACR1ENPP2ATXN2HTR2AABAT
SCHEMBL16099607 0.80 TACR1 (0.41) TACR1ENPP2ATXN2HTR2AABAT
SCHEMBL16099623 0.79 TACR1 (0.39) TACR1ENPP2ATXN2HTR2AABAT
SCHEMBL16094158 0.77 ENPP2 (0.37) TACR1ENPP2ATXN2HTR2AABAT

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 662/4885ENPP2 1/4885ATXN2 110/4885

“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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