SCHEMBL3357484

SCHEMBL3357484

CC(C)(C)OC(=O)N1CCC[C@H]1COCc1cncc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 3/20 0.46
USP30 Q70CQ3 3/20 0.46
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
TACR1 P25103 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GPR119 Q8TDV5 2/20 0.38
KMT2A Q03164 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
HSD17B10 Q99714 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13308105 1.00 UCHL1 (0.46) UCHL1USP30CHRNB2CHRNA4ALOX5AP
SCHEMBL6587123 0.83 CHRNB2 (0.61) UCHL1USP30CHRNB2CHRNA4ALOX5AP
SCHEMBL2495176 0.83 CHRNB2 (0.61) UCHL1USP30CHRNB2CHRNA4ALOX5AP
SCHEMBL3357692 0.83 CHRNB2 (0.61) UCHL1USP30CHRNB2CHRNA4ALOX5AP
Hydrochloric Acid SCHEMBL6584130 0.82 CHRNB2 (0.60) UCHL1USP30CHRNB2CHRNA4ALOX5AP
SCHEMBL22609593 0.81 FPR3 (0.47) UCHL1CHRNB2CHRNA4ALOX5APFEN1
SCHEMBL21071021 0.81 FPR3 (0.47) UCHL1CHRNB2CHRNA4ALOX5APFEN1
SCHEMBL7908488 0.79 KLK7 (0.52) CHRNB2CHRNA4ALOX5APFEN1ALDH1A1
SCHEMBL4664791 0.79 KLK7 (0.52) CHRNB2CHRNA4ALOX5APFEN1ALDH1A1
SCHEMBL7908485 0.79 KLK7 (0.52) CHRNB2CHRNA4ALOX5APFEN1ALDH1A1

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 8 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-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-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-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
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 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 (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 2345/4885CHRNB2 12/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 UCHL1 2815/4885USP30 2345/4885CHRNB2 12/4885

“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.