SCHEMBL16303331

SCHEMBL16303331

CCN(CC)CCCCNCc1cc(/C=N/CC(C)O)ccn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ HSP90AA1 P07900 2/20 0.33
▸ HSP90AB1 P08238 2/20 0.33
▸ CCR4 P51679 8/20 0.33
▸ KDM5B Q9UGL1 4/20 0.33
▸ SIRT2 Q8IXJ6 2/20 0.33
▸ KDM5A P29375 2/20 0.31
▸ KDM5C P41229 2/20 0.31
▸ KDM6B O15054 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL16293258 1.00 CHRM2 (0.35) CHRM2S1PR1HSP90AA1HSP90AB1CCR4
SCHEMBL16303338 0.86 CHRM2 (0.35) CHRM2HSP90AA1HSP90AB1KDM5BSIRT2
SCHEMBL16293839 0.86 CHRM2 (0.35) CHRM2HSP90AA1HSP90AB1KDM5BSIRT2
SCHEMBL16292953 0.85 S1PR1 (0.37) CHRM2S1PR1HSP90AA1HSP90AB1CCR4
SCHEMBL16305527 0.85 S1PR1 (0.37) CHRM2S1PR1HSP90AA1HSP90AB1CCR4
SCHEMBL16292703 0.84 CHRM2 (0.35) CHRM2S1PR1HSP90AA1HSP90AB1CCR4
SCHEMBL16303330 0.84 CHRM2 (0.35) CHRM2S1PR1HSP90AA1HSP90AB1CCR4
SCHEMBL16303339 0.84 CHRM2 (0.35) CHRM2S1PR1HSP90AA1HSP90AB1CCR4
SCHEMBL16293970 0.84 CHRM2 (0.35) CHRM2S1PR1HSP90AA1HSP90AB1CCR4
SCHEMBL16293709 0.82 CHRM2 (0.34) CHRM2HSP90AA1HSP90AB1KDM5BSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP claimed
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US claimed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US claimed
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — US 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 (2 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885S1PR1 3369/4885HSP90AA1 1609/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885S1PR1 3369/4885HSP90AA1 1609/4885

“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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