SCHEMBL6583732

SCHEMBL6583732

CN1CCC[C@H]1COc1cncc(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 19/20 1.00
CHRNB2 P17787 19/20 1.00
CHRNB4 P30926 19/20 1.00
CHRNA3 P32297 19/20 1.00
CHRNB3 Q05901 19/20 1.00
JAK2 O60674 1/20 0.71

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
SCHEMBL6585020 1.00 CHRNB1 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL14311702 1.00 CHRNB1 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6589203 0.99 CHRNB1 (0.98) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6583237 0.99 CHRNB1 (0.98) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6583152 0.93 CHRNB2 (0.86) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6584062 0.91 CHRNB2 (0.84) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6582918 0.91 CHRNB1 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6583047 0.90 CHRNB1 (0.98) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6584016 0.89 CHRNB2 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6583157 0.89 CHRNB1 (1.00) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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
EP-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP claimed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US claimed
US-20100129291-A1 NICOTINIC DESENSITIZERS AND METHODS OF SELECTING, TESTING, AND USING THEM BETHESDA PHARMACOLOGY ASSOCIATES (US) 2010-05-27 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-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission LIN NAN-HORNG (US) 2002-10-17 US 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 (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-20100129291-A1 NICOTINIC DESENSITIZERS AND METHODS OF SELECTING, TESTING, AND USING THEM CHRNA5, CHRNA2, CHRNA10 CHRNB1 12/4885CHRNB2 7/4885CHRNB4 11/4885
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission GAP43, SLC18A2, GABRE CHRNB1 97/4885CHRNB2 16/4885CHRNB4 11/4885

“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.