SCHEMBL16293754

SCHEMBL16293754

CC(C)C[C@H](NCc1cc(C=NCCO)ccn1)C(=O)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 9/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LNPEP Q9UIQ6 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CALCRL Q16602 1/20 0.33
▸ DPP7 Q9UHL4 3/20 0.33
▸ DPP8 Q6V1X1 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
SCHEMBL16303336 1.00 CACNA1B (0.38) CACNA1BKDM4EALDH1A1NPSR1LNPEP
SCHEMBL18880304 1.00 CACNA1B (0.38) CACNA1BKDM4EALDH1A1NPSR1LNPEP
SCHEMBL16292657 0.76 SIRT2 (0.34) ALDH1A1
SCHEMBL16292659 0.76 SIRT2 (0.34) ALDH1A1
SCHEMBL18880294 0.69 KDM5B (0.33) KDM4EALDH1A1
SCHEMBL16292658 0.68 KDM5B (0.40) KDM4EALDH1A1MAPK1
SCHEMBL16293837 0.67 KDM5B (0.37) ALDH1A1
SCHEMBL16293836 0.67 KDM5B (0.37) ALDH1A1
SCHEMBL18880295 0.66 KDM5B (0.51) CACNA1BALDH1A1
SCHEMBL1953590 0.65 MMP2 (0.36) CACNA1BKDM4EALDH1A1NPSR1HSD17B10

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 8 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-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 CACNA1B 3922/4885KDM4E 14/4885ALDH1A1 1536/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CACNA1B 3922/4885KDM4E 14/4885ALDH1A1 1536/4885

“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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