SCHEMBL3357225

SCHEMBL3357225

CC(C)(C)OC(=O)N1CCC[C@H]1c1cncc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 3/20 0.52
USP30 Q70CQ3 3/20 0.52
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RIPK1 Q13546 1/20 0.40

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
SCHEMBL6962727 1.00 UCHL1 (0.52) UCHL1USP30ALDH1A1KMT2AHSD17B10
SCHEMBL20164038 0.96 UCHL1 (0.48) UCHL1USP30ALDH1A1KMT2A
SCHEMBL20164037 0.96 UCHL1 (0.48) UCHL1USP30ALDH1A1KMT2A
SCHEMBL31226242 0.87 USP30 (0.43) UCHL1USP30ALDH1A1KMT2ATSHR
SCHEMBL18878228 0.85 RIPK1 (0.49) ALDH1A1RIPK1
SCHEMBL18606763 0.85 RIPK1 (0.49) ALDH1A1RIPK1
SCHEMBL31226659 0.85 ALDH1A1 (0.44) UCHL1USP30ALDH1A1KMT2AHSD17B10
SCHEMBL31226999 0.85 ALDH1A1 (0.44) UCHL1USP30ALDH1A1KMT2AHSD17B10
SCHEMBL3667865 0.84 USP30 (0.51) UCHL1USP30ALDH1A1KMT2ATSHR
SCHEMBL31226629 0.84 USP30 (0.41) UCHL1USP30ALDH1A1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US 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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 UCHL1 2815/4885USP30 2345/4885ALDH1A1 1052/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 UCHL1 2815/4885USP30 2345/4885ALDH1A1 1052/4885

“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.