SCHEMBL16006930

SCHEMBL16006930

CCN(CC)CCCCNCc1cc(C=O)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.41
▸ S1PR1 P21453 1/20 0.39
▸ KDM5B Q9UGL1 7/20 0.37
▸ KDM5A P29375 6/20 0.37
▸ KDM5C P41229 6/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ HSP90AB1 P08238 2/20 0.37
▸ KDM4A O75164 2/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ SIRT2 Q8IXJ6 3/20 0.36
▸ KDM4C Q9H3R0 2/20 0.36
▸ KDM5D Q9BY66 1/20 0.36
▸ CCR4 P51679 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CXCR4 P61073 1/20 0.35

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
SCHEMBL16303335 0.89 CHRM2 (0.41) CHRM2S1PR1KDM5BKDM5AKDM5C
SCHEMBL16292333 0.87 KDM5B (0.40) CHRM2KDM5BKDM5AKDM5CKDM4A
SCHEMBL15994366 0.86 KDM5B (0.41) CHRM2KDM5BKDM5AKDM5CKDM4A
SCHEMBL16293382 0.86 CHRM2 (0.42) CHRM2KDM5BKDM5AKDM5CKDM4A
SCHEMBL16293037 0.83 CHRM2 (0.44) CHRM2S1PR1KDM5BKDM5AKDM5C
SCHEMBL16292934 0.82 CHRM2 (0.40) CHRM2S1PR1KDM5BKDM5AKDM5C
SCHEMBL16292953 0.82 S1PR1 (0.37) CHRM2S1PR1KDM5BKDM5AKDM5C
SCHEMBL16305527 0.82 S1PR1 (0.37) CHRM2S1PR1KDM5BKDM5AKDM5C
SCHEMBL16293034 0.82 CHRM2 (0.43) CHRM2S1PR1KDM5BKDM5AKDM5C
SCHEMBL16293035 0.82 CHRM2 (0.43) CHRM2S1PR1KDM5BKDM5AKDM5C

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 17 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
US-20180042905-A1 METHODS OF TREATING HEPATITIS B VIRUS GILEAD SCIENCES, INC. 2018-02-15 — — US 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-20160303095-A1 METHODS OF TREATING HEPATITIS B VIRUS GILEAD SCIENCES, INC. 2016-10-20 — — 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
WO-2014131777-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2014-09-04 — — 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 (4 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 3369/4885KDM5B 27/4885
US-20180042905-A1 METHODS OF TREATING HEPATITIS B VIRUS KDM1B, KDM5B, KDM5A CHRM2 4614/4885S1PR1 1439/4885KDM5B 2/4885
US-20160303095-A1 METHODS OF TREATING HEPATITIS B VIRUS KDM1B, KDM5B, KDM5A CHRM2 4614/4885S1PR1 1439/4885KDM5B 2/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885S1PR1 3369/4885KDM5B 27/4885

“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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