SCHEMBL16303328

SCHEMBL16303328

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.39
▸ S1PR1 P21453 1/20 0.36
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ SCN8A Q9UQD0 1/20 0.33
▸ CCR4 P51679 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HSP90AA1 P07900 2/20 0.31
▸ HSP90AB1 P08238 2/20 0.31
▸ SIRT2 Q8IXJ6 3/20 0.31
▸ ACHE P22303 3/20 0.31
▸ BCHE P06276 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
SCHEMBL16292962 1.00 CHRM2 (0.39) CHRM2S1PR1MAOAMAOBSCN8A
SCHEMBL16305527 0.88 S1PR1 (0.37) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16292953 0.88 S1PR1 (0.37) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16303330 0.87 CHRM2 (0.35) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16292703 0.87 CHRM2 (0.35) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL17984963 0.82 SIGMAR1 (0.34) CHRM2S1PR1SIRT2ACHEBCHE
SCHEMBL16305539 0.82 SIGMAR1 (0.34) CHRM2S1PR1SIRT2ACHEBCHE
SCHEMBL16293258 0.82 CHRM2 (0.35) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16303331 0.82 CHRM2 (0.35) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16305474 0.81 CHRM2 (0.34) CHRM2S1PR1CCR4HSP90AA1HSP90AB1

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 15 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
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-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — 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 3369/4885MAOA 1678/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885S1PR1 3369/4885MAOA 1678/4885

“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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