SCHEMBL905208

SCHEMBL905208

c1cncc(OC[C@H]2CCN2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 1.00
CHRNA4 P43681 6/20 1.00
CHRNA3 P32297 5/20 1.00
CHRNB4 P30926 4/20 1.00
CHRNA7 P36544 3/20 1.00
CHRNA1 P02708 1/20 1.00
CHRNG P07510 1/20 1.00
CHRNB1 P11230 1/20 1.00
CHRND Q07001 1/20 1.00
CYP2D6 P10635 2/20 0.59
CYP3A4 P08684 1/20 0.59

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
SCHEMBL29615733 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL401138 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL676026 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL31375263 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL7836790 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL3217337 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL7480026 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL7464746 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL905236 0.89 CHRNA3 (0.81) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL905201 0.89 CHRNA3 (0.81) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US claimed
US-20180092916-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE UNIVERSITY OF SOUTH FLORIDA (US) 2018-04-05 US disclosed
US-9782404-B2 Methods of treating disease-induced ataxia and non-ataxic imbalance UNIVERSITY OF SOUTH FLORIDA (US) 2017-10-10 US disclosed
US-9463190-B2 Methods of treating disease-induced ataxia and non-ataxic imbalance UNIVERSITY OF SOUTH FLORIDA (US) 2016-10-11 US disclosed
US-20140371208-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE UNIVERSITY OF SOUTH FLORIDA 2014-12-18 US disclosed
US-20110237597-A1 METHOD OF TREATING PERIPHERAL NERVE SENSORY LOSS USING COMPOUNDS HAVING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY UNIVERSITY OF SOUTH FLORIDA 2011-09-29 US disclosed
EP-2300012-A2 METHOD OF TREATING PERIPHERAL NERVE SENSORY LOSS USING COMPOUNDS HAVING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY University of South Florida (US) 2011-03-30 EP disclosed
US-20110059905-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE UNIVERSITY OF SOUTH FLORIDA 2011-03-10 US disclosed
EP-2271344-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE University of South Florida (US) 2011-01-12 EP disclosed
WO-2009146031-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE UNIVERSITY OF SOUTH FLORIDA (US) 2009-12-03 WO disclosed
WO-2009143019-A2 METHOD OF TREATING PERIPHERAL NERVE SENSORY LOSS USING COMPOUNDS HAVING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY UNIVERSITY OF SOUTH FLORIDA (US) 2009-11-26 WO disclosed
EP-0950057-B1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LAB (US) 2002-11-13 EP disclosed
US-6403575-B1 ANTI-INFLAMMATORIES ABBOTT LABORATORIES 2002-06-11 US disclosed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
US-6133253-A NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
EP-0950057-A1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS Abbott Laboratories (US) 1999-10-20 EP disclosed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed
WO-1998025920-A1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LABORATORIES (US) 1998-06-18 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 (4 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-20140371208-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE CHRNA6, CHRNA7, CHRNA2 CHRNB2 9/4885CHRNA4 7/4885CHRNA3 6/4885
US-20110059905-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE CHRNA6, CHRNA7, CHRNA2 CHRNB2 9/4885CHRNA4 7/4885CHRNA3 6/4885
US-20180092916-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE CHRNA6, CHRNA7, CHRNA2 CHRNB2 9/4885CHRNA4 7/4885CHRNA3 6/4885
US-20110237597-A1 METHOD OF TREATING PERIPHERAL NERVE SENSORY LOSS USING COMPOUNDS HAVING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ACHE, CHRNA6, CHRNB2 CHRNB2 3/4885CHRNA4 9/4885CHRNA3 13/4885

“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.