SCHEMBL16093920

SCHEMBL16093920

CCOC(=O)C1CC2CCCC(C1)N2C(=O)c1cc2n(n1)CCCN(C(=O)NCc1cc(Cl)cc(Cl)c1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PPIB P23284 1/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ ATXN2 Q99700 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 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
SCHEMBL16099747 0.96 KDM4E (0.36) ALDH1A1TSHRGRIN2BCYP2C19POLB
SCHEMBL16099089 0.89 GRIN2B (0.37) GRIN2BPOLBKMT2AEPHX2MEN1
SCHEMBL16099521 0.88 ENPP2 (0.39) ALDH1A1TSHRCYP2C19POLBKDM4E
SCHEMBL16100664 0.85 EPHX2 (0.38) GRIN2BKMT2AEPHX2MEN1ENPP2
SCHEMBL16102917 0.84 GRM5 (0.34) ALDH1A1TSHRGRIN2BKMT2AEPHX2
SCHEMBL16100243 0.84 ENPP2 (0.38) TSHRCYP2C19KDM4ELMNAMAPT
SCHEMBL16102199 0.82 ENPP2 (0.39) ENPP2
SCHEMBL16102807 0.82 KMT2A (0.39) POLBKMT2AEPHX2
SCHEMBL16100285 0.81 F2 (0.40) POLBMAPTEPHX2
SCHEMBL16102856 0.80 GRM5 (0.38) ALDH1A1TSHRGRIN2BKMT2AEPHX2

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 3 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
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

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 ALDH1A1 4063/4885TSHR 136/4885GRIN2B 2245/4885

“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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