SCHEMBL16006938

SCHEMBL16006938

CNCc1ccnc(CNCCCN(C)Cc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.54
▸ TMEM97 Q5BJF2 8/20 0.54
▸ KDM5B Q9UGL1 1/20 0.48
▸ SIRT2 Q8IXJ6 3/20 0.43
▸ APP P05067 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ACKR3 P25106 1/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ OPRK1 P41145 1/20 0.41

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
SCHEMBL16293030 0.89 TMEM97 (0.56) SIGMAR1TMEM97KDM5BSIRT2APP
SCHEMBL16293406 0.88 TMEM97 (0.54) SIGMAR1TMEM97KDM5BSIRT2APP
SCHEMBL16292674 0.86 SIGMAR1 (0.53) SIGMAR1TMEM97KDM5BSIRT2APP
SCHEMBL18860206 0.78 CHRM2 (0.42) KDM5BSIRT2KDM4EALDH1A1
SCHEMBL16293073 0.77 TMEM97 (0.45) SIGMAR1TMEM97KDM5BSIRT2APP
SCHEMBL16293072 0.77 TMEM97 (0.45) SIGMAR1TMEM97KDM5BSIRT2APP
SCHEMBL16006932 0.77 TMEM97 (0.45) SIGMAR1TMEM97KDM5BSIRT2APP
SCHEMBL18831147 0.75 MC4R (0.44) SIRT2KDM4E
SCHEMBL18880300 0.75 CHRM2 (0.42) KDM5BSIRT2KDM4E
SCHEMBL1268694 0.74 SIGMAR1 (0.61) SIGMAR1TMEM97APPACHEMEN1

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 18 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
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
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-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-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-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
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 (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 SIGMAR1 2943/4885TMEM97 3238/4885KDM5B 27/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A SIGMAR1 2943/4885TMEM97 3238/4885KDM5B 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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