SCHEMBL2437188

SCHEMBL2437188

Cc1ccc(OC[C@@H]2CCN2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.68
CHRNA4 P43681 4/20 0.68
CHRNA3 P32297 3/20 0.68
CHRNA7 P36544 3/20 0.68
CHRNB4 P30926 2/20 0.68
CHRNA1 P02708 1/20 0.63
CHRNG P07510 1/20 0.63
CHRNB1 P11230 1/20 0.63
CHRND Q07001 1/20 0.63

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
SCHEMBL7913611 1.00 CHRNB2 (0.68) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL7407230 1.00 CHRNB2 (0.68) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL7460292 0.98 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL905220 0.89 CHRNA3 (0.70) CHRNB2CHRNA4CHRNA3
SCHEMBL905218 0.89 CHRNA3 (0.70) CHRNB2CHRNA4CHRNA3
Hydrochloric Acid SCHEMBL7839311 0.88 CHRNA3 (0.68) CHRNB2CHRNA4CHRNA3
Hydrochloric Acid SCHEMBL7842121 0.88 CHRNA3 (0.68) CHRNB2CHRNA4CHRNA3
SCHEMBL23498464 0.82 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL4651869 0.82 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL8437911 0.82 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4

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 16 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-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 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
US-20110059905-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE UNIVERSITY OF SOUTH FLORIDA 2011-03-10 US disclosed
US-6288055-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS; PYRIDINE DERIVATIVES LINKED BY LIGAND ADVANCED MEDICINE, INC. 2001-09-11 US disclosed
EP-1083917-A1 NOVEL ANALGESIC AGENTS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999064038-A9 NOVEL ANALGESIC AGENTS ADVANCED MEDICINE INC (US) 2000-05-04 WO disclosed
WO-1999064038-A1 NOVEL ANALGESIC AGENTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 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 (5 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-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS KIT, NISCH, FLT3 CHRNB2 1059/4885CHRNA4 2465/4885CHRNA3 2053/4885
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.