SCHEMBL1567973

SCHEMBL1567973

Cn1cc(NC(=O)CCc2ccc(-c3ccc(O)cc3)cc2)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 19/20 0.67
▸ CYP2C8 P10632 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL1567390 0.82 HCAR2 (0.61) HCAR2CYP2C8CYP2C9
SCHEMBL1566738 0.81 HCAR2 (0.60) HCAR2CYP2C8CYP2C9
SCHEMBL14340819 0.81 HCAR2 (1.00) HCAR2CYP2C8CYP2C9
SCHEMBL1566911 0.80 HCAR2 (0.62) HCAR2CYP2C8CYP2C9HDAC2HDAC8
SCHEMBL1566902 0.77 HCAR2 (0.64) HCAR2
SCHEMBL4546695 0.77 HCAR2 (0.64) HCAR2CYP2C8CYP2C9
SCHEMBL1567012 0.77 HCAR2 (0.62) HCAR2
SCHEMBL9973824 0.76 HCAR2 (0.68) HCAR2CYP2C8CYP2C9
SCHEMBL29403073 0.76 HCAR2 (0.92) HCAR2CYP2C8CYP2C9
SCHEMBL4330597 0.76 HCAR2 (0.92) HCAR2CYP2C8CYP2C9

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-2308838-B1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2016-02-17 — — EP disclosed
US-9150563-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 — — US disclosed
US-9150563-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 — — US disclosed
CN-102149680-B Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO CO LTD 2014-12-10 — — CN disclosed
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 — — US disclosed
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 — — US disclosed
US-8648103-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-11 — — US disclosed
US-8648103-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-11 — — US disclosed
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-03 — — US disclosed
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-03 — — US disclosed
CN-102149680-A Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO CO LTD 2011-08-10 — — CN disclosed
EP-2308838-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-04-13 — — EP 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-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPC1 HCAR2 580/4885CYP2C8 364/4885CYP2C9 196/4885
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPPA HCAR2 526/4885CYP2C8 163/4885CYP2C9 95/4885

“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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