SCHEMBL16006929

SCHEMBL16006929

COc1ccccc1CN1CCC(NC(=O)CNCc2cc(CNC3CC3)ccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.57
▸ POLB P06746 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MCHR1 Q99705 1/20 0.48
▸ CXCR4 P61073 3/20 0.47
▸ CCR2 P41597 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ BCHE P06276 2/20 0.46
▸ ACHE P22303 2/20 0.46
▸ BACE1 P56817 2/20 0.46
▸ CCR8 P51685 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16293099 0.92 SIGMAR1 (0.47) SIGMAR1POLBMEN1KMT2ACCR8
SCHEMBL15994202 0.91 SIGMAR1 (0.59) SIGMAR1POLBMEN1KMT2AMCHR1
SCHEMBL16293808 0.91 SIGMAR1 (0.58) SIGMAR1POLBMEN1KMT2AMCHR1
SCHEMBL15635975 0.87 SIGMAR1 (0.58) SIGMAR1POLBMEN1KMT2AMCHR1
SCHEMBL17984984 0.85 SIGMAR1 (0.42) SIGMAR1POLBMEN1KMT2AMCHR1
SCHEMBL15994153 0.83 SIGMAR1 (0.49) SIGMAR1POLBMEN1KMT2AMCHR1
SCHEMBL28168925 0.83 SIGMAR1 (0.51) SIGMAR1POLBMEN1KMT2AMCHR1
SCHEMBL15993987 0.74 SIGMAR1 (0.49) SIGMAR1POLBMEN1KMT2AMCHR1
SCHEMBL20779104 0.73 SIGMAR1 (0.43) SIGMAR1POLBMEN1KMT2AGAA
Isonicotinic Acid SCHEMBL28168926 0.72 SIGMAR1 (0.54) SIGMAR1POLBMEN1KMT2AMCHR1

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 12 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-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-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
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 2943/4885POLB 1177/4885MEN1 3081/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A SIGMAR1 2943/4885POLB 1177/4885MEN1 3081/4885

“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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