SCHEMBL3357692

SCHEMBL3357692

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cncc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.61
CHRNA4 P43681 5/20 0.61
CHRNA3 P32297 4/20 0.50
CHRNB4 P30926 3/20 0.50
UCHL1 P09936 1/20 0.47
USP30 Q70CQ3 1/20 0.47
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB3 Q05901 1/20 0.46
CHRNA2 Q15822 1/20 0.45
GPR119 Q8TDV5 2/20 0.45

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
SCHEMBL6587123 1.00 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL2495176 1.00 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
Hydrochloric Acid SCHEMBL6584130 0.99 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL2300523 0.94 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL6586600 0.94 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL2185913 0.94 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL6588021 0.90 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL3358944 0.90 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL6857856 0.88 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL1241249 0.87 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4ALOX5AP

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653618-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-01-08 EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US disclosed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US disclosed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US disclosed
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 EP 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
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO disclosed
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO disclosed
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CINCOR PHARMA, INC. 2013-03-21 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
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
EP-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP disclosed
US-6437138-B1 5-BROMO-6-CHLORO-3-(2-(S)-AZETIDINYL OR PYRROLIDINYL-METHOXY) PYRIDINE INTERMEDIATES FOR THE 5-SUBSTITUTED COMPOUNDS WHICH ARE POTENT LIGANDS AT NEURONAL NICOTINIC CHOLINERGIC CHANNEL RECEPTORS, NEUROTRANSMITTER CONTROLLING AGENTS ABBOTT LABORATORIES 2002-08-20 US disclosed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US disclosed
US-5629325-A TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1997-05-13 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 (3 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 CHRNB2 12/4885CHRNA4 5/4885CHRNA3 6/4885
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 CHRNB2 1135/4885CHRNA4 2935/4885CHRNA3 1408/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHRNA3 6/4885

“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.