SCHEMBL4874614

SCHEMBL4874614

CC(=O)Sc1ccc2c(c1)oc(=O)n2C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
ASAH1 Q13510 9/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.34
GFER P55789 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
FAAH O00519 1/20 0.34
NAAA Q02083 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL2895008 0.78 KDM4E (0.43) IDO1LMNAHSD17B10ALDH1A1HPGD
SCHEMBL10165252 0.78 ASAH1 (0.52) IDO1LMNAHSD17B10ALDH1A1HPGD
SCHEMBL5635490 0.74 KMO (0.41) IDO1ALDH1A1ASAH1POLBKMT2A
SCHEMBL7525629 0.73 IDO1 (0.65) IDO1HSD17B10ALDH1A1HPGDASAH1
SCHEMBL5171250 0.70 ALDH1A1 (0.50) IDO1LMNAALDH1A1HPGDASAH1
SCHEMBL14341653 0.64 HPGD (0.46) LMNAALDH1A1HPGDKMT2APKM
SCHEMBL14872070 0.64 PKM (0.42) LMNAHSD17B10ALDH1A1HPGDPOLB
SCHEMBL5208539 0.63 ASAH1 (0.52) LMNAHSD17B10ALDH1A1ASAH1POLB
SCHEMBL29282031 0.62 AKR1C3 (0.38) LMNAHSD17B10ALDH1A1HPGDKMT2A
SCHEMBL13424788 0.62 ALDH1A1 (0.48) LMNAALDH1A1HPGDPOLBKMT2A

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
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 IDO1 1085/4885LMNA 4805/4885HSD17B10 2835/4885

“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.