SCHEMBL905240

SCHEMBL905240

CCCc1cncc(OC[C@@H]2CCCN2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 1.00
CHRNA4 P43681 6/20 1.00
CHRNA3 P32297 6/20 0.77
CHRNB4 P30926 5/20 0.77
CHRNB1 P11230 4/20 0.77
CHRNB3 Q05901 4/20 0.77
JAK2 O60674 1/20 0.77
DAPK3 O43293 1/20 0.65
ROCK2 O75116 1/20 0.65
PRKCG P05129 1/20 0.65
PIM1 P11309 1/20 0.65
RPS6KB1 P23443 1/20 0.65
AKT1 P31749 1/20 0.65
LIMK1 P53667 1/20 0.65
CDK5 Q00535 1/20 0.65
PRKCD Q05655 1/20 0.65
PAK1 Q13153 1/20 0.65
STK3 Q13188 1/20 0.65
ROCK1 Q13464 1/20 0.65
DYRK1A Q13627 1/20 0.65

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
Hydrochloric Acid SCHEMBL8435512 0.99 CHRNB2 (0.98) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL13354110 0.93 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL905213 0.93 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL8528121 0.92 CHRNB2 (0.93) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL8438742 0.92 CHRNB2 (0.98) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7676217 0.91 CHRNB2 (0.91) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL1506416 0.90 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL8435354 0.89 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL6585320 0.87 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL13354155 0.86 CHRNB2 (0.79) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1

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 12 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
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 (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.