SCHEMBL2437117

SCHEMBL2437117

Clc1cncc(OC[C@@H]2CCN2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.68
CHRNA4 P43681 3/20 0.68
KDM4E B2RXH2 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
CHRNB4 P30926 1/20 0.67
CHRNA3 P32297 1/20 0.67
CHRNA2 Q15822 1/20 0.67

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
SCHEMBL3224827 1.00 CHRNB2 (0.68) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7408459 0.98 CHRNB2 (0.67) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL905216 0.90 CHRNA3 (0.71) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL905203 0.90 CHRNA3 (0.71) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL3223507 0.90 CHRNA3 (0.71) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
Hydrochloric Acid SCHEMBL7373497 0.88 CHRNA3 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7839142 0.88 CHRNA3 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7410310 0.82 CHRNB2 (0.53) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL15805078 0.81 CHRNB2 (0.68) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL7414932 0.81 CHRNB2 (0.68) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663912-B1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2001-12-12 EP claimed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US claimed
EP-0663912-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1995-07-26 EP claimed
EP-0663912-A4 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION. ABBOTT LAB (US) 1995-02-17 EP claimed
WO-1994008992-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1994-04-28 WO 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
US-20110059905-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE UNIVERSITY OF SOUTH FLORIDA 2011-03-10 US disclosed
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 US disclosed
CN-101568258-A Pyridine derivatives for combating pests BASF SE (DE) 2009-10-28 CN disclosed
EP-2086325-A1 PYRIDINE COMPOUNDS FOR COMBATING PESTS BASF SE (DE) 2009-08-12 EP disclosed
WO-2008065145-A1 PYRIDINE COMPOUNDS FOR COMBATING PESTS BASF SE (DE) 2008-06-05 WO disclosed
EP-0663912-B1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2001-12-12 EP disclosed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed
EP-0663912-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1995-07-26 EP disclosed
EP-0663912-A4 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION. ABBOTT LAB (US) 1995-02-17 EP disclosed
WO-1994008992-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1994-04-28 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 (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 7/4885KDM4E 4735/4885
US-20110059905-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE CHRNA6, CHRNA7, CHRNA2 CHRNB2 9/4885CHRNA4 7/4885KDM4E 4735/4885
US-20180092916-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE CHRNA6, CHRNA7, CHRNA2 CHRNB2 9/4885CHRNA4 7/4885KDM4E 4735/4885
US-20110237597-A1 METHOD OF TREATING PERIPHERAL NERVE SENSORY LOSS USING COMPOUNDS HAVING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ACHE, CHRNA6, CHRNB2 CHRNB2 3/4885CHRNA4 9/4885KDM4E 4243/4885
US-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 CHRNB2 169/4885CHRNA4 70/4885KDM4E 1115/4885

“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.