SCHEMBL16293361

SCHEMBL16293361

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 2/20 0.34
▸ F2 P00734 1/20 0.33
▸ LNPEP Q9UIQ6 2/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ PKM P14618 2/20 0.33
▸ MELK Q14680 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ KDM6B O15054 1/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM5C P41229 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ LPAR1 Q92633 2/20 0.31
▸ LPAR5 Q9H1C0 2/20 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
SCHEMBL15994216 0.85 SSTR4 (0.35) F2LNPEPS1PR1MELK
SCHEMBL16293743 0.84 LNPEP (0.38) KDM2BF2LNPEPS1PR1PKM
SCHEMBL15994346 0.80 KDM5B (0.35) KDM2BMELKKDM6BKDM4AKDM5A
SCHEMBL15994403 0.80 KDM5B (0.34) KDM2BHDAC1HDAC6KDM6BKDM4A
SCHEMBL16293226 0.79 KDM5B (0.34) KDM2BKDM6BKDM4AKDM5AKDM5C
SCHEMBL16293671 0.79 KDM5B (0.34) KDM2BKDM6BKDM4AKDM5AKDM5C
SCHEMBL16293228 0.79 KDM5B (0.34) KDM2BKDM6BKDM4AKDM5AKDM5C
SCHEMBL16293996 0.78 KDM5B (0.38) KDM2BHDAC1KDM6BKDM4AKDM5A
SCHEMBL15994244 0.71 KDM2B (0.41) KDM2BF2KDM6BKDM4AKDM5A
SCHEMBL16293699 0.71 ACKR3 (0.39) HDAC1HDAC6KDM5AKDM5B

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 KDM2B 19/4885F2 4877/4885LNPEP 2933/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A KDM2B 19/4885F2 4877/4885LNPEP 2933/4885

“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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