SCHEMBL16099747

SCHEMBL16099747

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ ATXN2 Q99700 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL16093920 0.96 ALDH1A1 (0.36) KDM4ETSHRALDH1A1CYP2C19LMNA
SCHEMBL16100664 0.89 EPHX2 (0.38) HRH3GRIN2BMEN1KMT2AENPP2
SCHEMBL16100243 0.88 ENPP2 (0.38) KDM4ETSHRCYP2C19LMNAMAPT
SCHEMBL16099089 0.85 GRIN2B (0.37) HRH3GRIN2BMEN1KMT2APOLB
SCHEMBL16102856 0.84 GRM5 (0.38) TSHRALDH1A1HRH3GRIN2BMEN1
SCHEMBL16099521 0.84 ENPP2 (0.39) KDM4ETSHRALDH1A1CYP2C19POLB
SCHEMBL16099907 0.83 KMT2A (0.38) KDM4ETSHRALDH1A1CYP2C19MAPT
SCHEMBL16100455 0.82 F2 (0.41) HRH3MAPTPOLB
SCHEMBL16099800 0.82 EPHX2 (0.41) HRH3LMNAKMT2APOLB
SCHEMBL16102451 0.81 KMT2A (0.36) KDM4ETSHRALDH1A1CYP2C19SMN1; SMN2

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 4 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
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 KDM4E 3129/4885TSHR 136/4885ALDH1A1 4063/4885

“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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