SCHEMBL16296605

SCHEMBL16296605

CCN(CCN(C)C)C(=O)CN(Cc1cc(CO)ccn1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.44
▸ KDM5C P41229 8/20 0.44
▸ KDM5A P29375 7/20 0.42
▸ KDM4C Q9H3R0 2/20 0.42
▸ KDM4A O75164 2/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ KDM5D Q9BY66 1/20 0.41
▸ SSTR4 P31391 1/20 0.39
▸ ACKR3 P25106 2/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32

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
SCHEMBL15994238 0.91 KDM5B (0.43) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15994325 0.87 SSTR4 (0.41) KDM5BKDM5CSSTR4CTSLCTSB
SCHEMBL15636647 0.87 KDM5B (0.58) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15994187 0.86 KDM5B (0.43) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15635733 0.85 KDM5B (0.61) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL16293303 0.85 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15994180 0.84 SSTR4 (0.45) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15994354 0.84 KDM5B (0.56) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL21716667 0.84 KDM5B (0.39) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15994070 0.83 SSTR4 (0.44) KDM5BKDM5CKDM5AKDM4CKDM4A

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 KDM5B 27/4885KDM5C 16/4885KDM5A 21/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A KDM5B 27/4885KDM5C 16/4885KDM5A 21/4885

“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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