SCHEMBL1458934

SCHEMBL1458934

CC(C)(C)OC(=O)C1CCN(c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.52
▸ HPGD P15428 7/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAPT P10636 3/20 0.44
▸ HRH4 Q9H3N8 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
SCHEMBL1458676 0.92 NAMPT (0.52) NAMPTHPGDALDH1A1MAPT
SCHEMBL10204342 0.85 NAMPT (0.50) NAMPTHPGDALDH1A1KDM4EGAA
SCHEMBL1458052 0.81 HPGD (0.60) NAMPTHPGDALDH1A1KDM4EGAA
SCHEMBL1458739 0.79 EGLN1 (0.58) NAMPTHPGDALDH1A1KDM4EGAA
SCHEMBL1458599 0.79 HRH4 (0.70) NAMPTHPGDALDH1A1KDM4EGAA
SCHEMBL10204341 0.79 CKS1B (0.57) NAMPTHPGD
SCHEMBL1458918 0.79 HPGD (0.66) NAMPTHPGDALDH1A1KDM4EGAA
SCHEMBL1458615 0.79 HPGD (0.66) NAMPTHPGDALDH1A1KDM4EGAA
SCHEMBL1457962 0.79 HPGD (0.66) NAMPTHPGDALDH1A1KDM4EGAA
SCHEMBL1458839 0.79 HPGD (0.66) NAMPTHPGDALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2022-10-04 — — US disclosed
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC (US) 2021-07-01 — — US disclosed
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2020-09-22 — — US disclosed
US-9868708-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2018-01-16 — — US disclosed
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2016-08-11 — — US disclosed
CN-102656163-B Suppress the heterogeneous ring compound of PASK BIOENERGENIX (US) 2016-01-13 — — CN disclosed
US-9193693-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2015-11-24 — — US disclosed
EP-2473504-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2015-02-25 — — EP disclosed
US-20150031679-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX, LLC 2015-01-29 — — US disclosed
US-8916560-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-23 — — US disclosed
CN-102656163-A Heterocyclic compounds for the inhibition of PASK BIOENERGENIX 2012-09-05 — — CN disclosed
EP-2473504-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2012-07-11 — — EP disclosed
US-20120165318-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-06-28 — — US disclosed
WO-2011028947-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2011-03-10 — — 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 (6 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-20120165318-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 NAMPT 544/4885HPGD 824/4885ALDH1A1 3714/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 NAMPT 544/4885HPGD 824/4885ALDH1A1 3714/4885
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 NAMPT 544/4885HPGD 824/4885ALDH1A1 3714/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 NAMPT 544/4885HPGD 824/4885ALDH1A1 3714/4885
US-20150031679-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 NAMPT 544/4885HPGD 824/4885ALDH1A1 3714/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 NAMPT 544/4885HPGD 824/4885ALDH1A1 3714/4885

“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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