SCHEMBL2495855

SCHEMBL2495855

OCCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.86
CHRNA3 P32297 7/20 0.86
CHRNA4 P43681 7/20 0.86
CHRNA2 Q15822 7/20 0.86
CHRNB4 P30926 5/20 0.86

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
SCHEMBL4727391 1.00 CHRNB2 (0.86) CHRNB2CHRNA3CHRNA4CHRNA2CHRNB4
SCHEMBL2495999 0.92 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNA2CHRNB4
SCHEMBL2843467 0.92 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNA2CHRNB4
Hydrochloric Acid SCHEMBL29454390 0.91 CHRNB2 (0.98) CHRNB2CHRNA3CHRNA4CHRNA2CHRNB4
SCHEMBL4725985 0.89 CHRNB2 (0.69) CHRNB2CHRNA3CHRNA4CHRNA2CHRNB4
SCHEMBL13322059 0.89 CHRNB2 (0.69) CHRNB2CHRNA3CHRNA4CHRNA2CHRNB4
SCHEMBL2501636 0.89 CHRNB2 (0.69) CHRNB2CHRNA3CHRNA4CHRNA2CHRNB4
SCHEMBL6582561 0.88 CHRNB2 (0.67) CHRNB2CHRNA3CHRNA4CHRNA2CHRNB4
SCHEMBL6583259 0.88 CHRNB2 (0.67) CHRNB2CHRNA3CHRNA4CHRNA2CHRNB4
SCHEMBL14941338 0.88 CHRNB2 (0.70) CHRNB2CHRNA3CHRNA4CHRNA2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030300-B2 2-pyrrolidinyloxy-substituted pyridine; Alzheimer's disease, Parkinson's disease, dyskinesias, Tourette's syndrome, schizophrenia, attention deficit disorder, anxiety, pain, depression, obsessive compulsive disorder GEORGETOWN UNIVERSITY (US) 2011-10-04 US disclosed
US-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them GEORGETOWN UNIVERSITY (US) 2008-06-05 US disclosed
WO-2008011484-A2 NICOTINIC DESENSITIZERS AND METHODS OF SELECTING, TESTING, AND USING THEM BETHESDA PHARMACOLOGY ASSOCIATES, LLC (US) 2008-01-24 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 (1 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-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them CHRNA5, OPRL1, TAAR5 CHRNB2 36/4885CHRNA3 20/4885CHRNA4 4/4885

“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.