SCHEMBL4714837

SCHEMBL4714837

CC(C)(C)OC(=O)NC1(CC2CCN(C(=O)OCc3ccccc3)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GRIN2B Q13224 9/20 0.46
HTT P42858 1/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 1/20 0.45
YAP1 P46937 1/20 0.44
CYP3A4 P08684 3/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
PDE4B Q07343 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL2082748 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL2082750 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL6164665 0.82 NPFFR1 (0.48)
SCHEMBL9144556 0.81 HTT (0.51) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL29286095 0.81 GRIN2B (0.48) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL6166147 0.81 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL19718088 0.80 MEN1 (0.47) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL27141264 0.79 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL19718197 0.79 MEN1 (0.46) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL15775084 0.79 MEN1 (0.46) SMN1; SMN2NPC1RAB9AGRIN2BHTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262477-B1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI SANKYO CO LTD (JP) 2008-09-03 EP disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
EP-1134219-B1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-06-15 EP disclosed
US-6825353-B2 AN AMINE SUBSTITUENT AT THE 7-POSITION OF THE QUINOLONE-CARBOXYLIC ACID DERIVATIVE IS PRODUCED; BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-26 US disclosed
US-6573260-B1 Antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-03 US disclosed
US-20030060631-A1 Process for producing quinolonecarboxlic acids and intermediates thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
EP-1262477-A1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP disclosed
EP-1258478-A1 PROCESS FOR PRODUCING QUINOLONECARBOXYLIC ACIDS AND INTERMEDIATES THEREOF DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
EP-1134219-A1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-09-19 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-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient PGD, PPA1, FASTKD1 SMN1; SMN2 3603/4885NPC1 4387/4885RAB9A 1481/4885
US-20030060631-A1 Process for producing quinolonecarboxlic acids and intermediates thereof NQO2, QPCT, QARS1 SMN1; SMN2 4814/4885NPC1 3772/4885RAB9A 2799/4885

“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.