SCHEMBL16306756

SCHEMBL16306756

CC(C)(C)OC(=O)N1CCC(c2cc3cc(C(=O)O)ccc3[nH]2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
TOP2A P11388 1/20 0.47
HTT P42858 1/20 0.47
P2RY14 Q15391 1/20 0.47
HPGDS O60760 2/20 0.46
KMT2A Q03164 3/20 0.45
GPR119 Q8TDV5 4/20 0.44
MEN1 O00255 2/20 0.44
CHEK2 O96017 1/20 0.44
PRMT5 O14744 2/20 0.43
PKM P14618 1/20 0.43
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42

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
SCHEMBL17092646 0.89 MAPT (0.52) KDM4EMAPTTHRBHTTHPGDS
SCHEMBL1466005 0.86 MAPT (0.55) KDM4EMAPTTHRBHTTHPGDS
SCHEMBL1980646 0.86 KDM4E (0.55) KDM4EMAPTTHRBHTTHPGDS
SCHEMBL3141500 0.84 KDM4E (0.58) KDM4EMAPTTHRBHTTHPGDS
SCHEMBL12058890 0.84 MAPT (0.53) KDM4EMAPTTHRBHTTP2RY14
SCHEMBL17115816 0.81 HPGDS (0.51) KDM4EMAPTTHRBTOP2AHPGDS
SCHEMBL1980796 0.81 TLR7 (0.53) KDM4EMAPTTHRBHTTKMT2A
SCHEMBL25114605 0.79 HRH3 (0.47) KDM4ETHRBKMT2AHPGDHSD17B10
SCHEMBL25337924 0.79 KDM4E (0.55) KDM4EMAPTTHRBHTTHPGDS
SCHEMBL15642665 0.78 P2RY14 (0.49) KDM4EMAPTTHRBHTTP2RY14

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-3009424-B1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2017-12-20 EP disclosed
CN-105308024-B The nitrogenous heteroaromatic amide compound of two ring types 安斯泰来制药株式会社 2017-10-27 CN disclosed
US-9428501-B2 Bicyclic nitrogen-containing aromatic heterocyclic amide compound ASTELLAS PHARMA INC. (JP) 2016-08-30 US disclosed
US-9428501-B2 Bicyclic nitrogen-containing aromatic heterocyclic amide compound ASTELLAS PHARMA INC. (JP) 2016-08-30 US disclosed
EP-3009424-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
US-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-09-24 US disclosed
US-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-09-24 US disclosed
WO-2014199933-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND アステラス製薬株式会社 (JP) 2014-12-18 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 (1 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-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND PIK3CA, SLC16A3, MCTS1 KDM4E 399/4885MAPT 2753/4885THRB 1636/4885

“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.