SCHEMBL16293254

SCHEMBL16293254

CCN(CC)CCCCNCc1cc(C2NCCN2C)ccn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.36
▸ S1PR1 P21453 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KIT P10721 2/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ SIRT2 Q8IXJ6 4/20 0.32
▸ HSP90AA1 P07900 2/20 0.31
▸ HSP90AB1 P08238 2/20 0.31
▸ CCR4 P51679 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
SCHEMBL16292936 0.94 CHRM2 (0.35) CHRM2S1PR1ALDH1A1ALOX15TSHR
SCHEMBL16293037 0.73 CHRM2 (0.44) CHRM2S1PR1ALDH1A1SIRT2HSP90AA1
SCHEMBL16293035 0.72 CHRM2 (0.43) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL16293034 0.72 CHRM2 (0.43) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL16292512 0.72 CHRM2 (0.33) CHRM2S1PR1HSP90AA1HSP90AB1
SCHEMBL15994215 0.71 CHRM2 (0.42) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL18880300 0.71 CHRM2 (0.42) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL16006930 0.70 CHRM2 (0.41) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL16303335 0.69 CHRM2 (0.41) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL16291618 0.69 KDM5B (0.51) CHRM2S1PR1ALDH1A1ALOX15L3MBTL1

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 14 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-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-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 3369/4885ALDH1A1 1536/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885S1PR1 3369/4885ALDH1A1 1536/4885

“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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