SCHEMBL16303335

SCHEMBL16303335

CCN(CC)CCCCNCc1cc(C=N)ccn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.41
▸ S1PR1 P21453 1/20 0.39
▸ SIRT2 Q8IXJ6 7/20 0.38
▸ HSP90AA1 P07900 2/20 0.36
▸ HSP90AB1 P08238 2/20 0.36
▸ CCR4 P51679 3/20 0.35
▸ CACNA2D1 P54289 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL16006930 0.89 CHRM2 (0.41) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL18017098 0.83 SIRT2 (0.42) CHRM2SIRT2LMNAKDM6BKDM4A
SCHEMBL16293037 0.82 CHRM2 (0.44) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL16305527 0.81 S1PR1 (0.37) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL16292953 0.81 S1PR1 (0.37) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL16293035 0.81 CHRM2 (0.43) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL16293034 0.81 CHRM2 (0.43) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL17984959 0.81 CHRM2 (0.34) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL16305474 0.81 CHRM2 (0.34) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1
SCHEMBL16303330 0.80 CHRM2 (0.35) CHRM2S1PR1SIRT2HSP90AA1HSP90AB1

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 10 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 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 3369/4885SIRT2 592/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885S1PR1 3369/4885SIRT2 592/4885

“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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