SCHEMBL5047018

SCHEMBL5047018

CC(=O)CCc1cnc(C(N)=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.47
TSHR P16473 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
MC4R P32245 1/20 0.40
ADRA1A P35348 1/20 0.40
MC3R P41968 1/20 0.40
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.35
P4HTM Q9NXG6 2/20 0.34
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL29684052 0.81 SIRT6 (0.50) SIRT6TSHRADORA3MC4RADRA1A
SCHEMBL5047020 0.80 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1L3MBTL1FFAR1
SCHEMBL5044994 0.76 P4HTM (0.54) SIRT6TSHRALDH1A1KMT2AP4HTM
SCHEMBL2635320 0.76 SIRT6 (0.73) SIRT6TSHRADORA3MC4RADRA1A
SCHEMBL30874232 0.75 SIRT6 (0.55) SIRT6TSHRADORA3MC4RADRA1A
SCHEMBL4697005 0.75 SIRT6 (0.55) SIRT6TSHRADORA3MC4RADRA1A
SCHEMBL30489397 0.75 SIRT6 (0.51) SIRT6TSHRADORA3MC4RADRA1A
SCHEMBL5041030 0.74 SIRT6 (0.59) SIRT6TSHRADORA3MC4RADRA1A
Hydrochloric Acid SCHEMBL27917292 0.73 SIRT6 (0.70) SIRT6TSHRADORA3MC4RADRA1A
SCHEMBL20863062 0.73 SIRT6 (0.53) SIRT6TSHRADORA3MC4RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 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 (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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA SIRT6 750/4885TSHR 1417/4885ADORA3 92/4885

“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.