SCHEMBL16293743

SCHEMBL16293743

CN(C)CC1CCC(CN(Cc2cc(CO)ccn2)C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 6/20 0.38
▸ F2 P00734 2/20 0.37
▸ PKM P14618 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.35
▸ LPAR1 Q92633 2/20 0.34
▸ LPAR5 Q9H1C0 2/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL15994136 0.85 SSTR4 (0.38) LNPEPF2S1PR1
SCHEMBL16293361 0.84 KDM2B (0.34) LNPEPF2PKMHDAC1HDAC6
SCHEMBL16292660 0.79 HDAC1 (0.39) HDAC1HDAC6KDM2BL3MBTL1RECQL
SCHEMBL16293240 0.77 SIGMAR1 (0.38) HDAC1KDM2BL3MBTL1RECQL
SCHEMBL16292793 0.77 RECQL (0.36) LNPEPKDM2BL3MBTL1RECQL
SCHEMBL16292791 0.77 RECQL (0.36) LNPEPKDM2BL3MBTL1RECQL
SCHEMBL16293148 0.77 RECQL (0.36) LNPEPKDM2BL3MBTL1RECQL
SCHEMBL16293303 0.75 KDM5B (0.48) KDM2B
SCHEMBL15994244 0.73 KDM2B (0.41) F2KDM2BLPAR1LPAR5
SCHEMBL3999628 0.73 RECQL (0.50) L3MBTL1RECQL

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 6 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-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-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 LNPEP 2933/4885F2 4877/4885PKM 4464/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A LNPEP 2933/4885F2 4877/4885PKM 4464/4885

“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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