SCHEMBL8300869

SCHEMBL8300869

Clc1cc2c(cn1)C1C3CCC(N3)C1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 9/20 0.42
▸ CHRNA4 P43681 9/20 0.42
▸ CHRNA7 P36544 5/20 0.35
▸ CHRNB4 P30926 3/20 0.35
▸ CHRNA3 P32297 3/20 0.35
▸ TRPM5 Q9NZQ8 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CHRNA1 P02708 1/20 0.33
▸ CHRNG P07510 1/20 0.33
▸ CHRNB1 P11230 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CHRND Q07001 1/20 0.33
▸ CHRNA2 Q15822 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL18094367 0.69 GFRA3 (0.43) CHRNB2CHRNA4CHRNA7CHRNB4TRPM5
SCHEMBL16800643 0.69 GFRA3 (0.43) CHRNB2CHRNA4CHRNA7CHRNB4TRPM5
SCHEMBL8300870 0.69 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL23977005 0.64 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNA3TRPM5
SCHEMBL24781339 0.64 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNA3TRPM5
SCHEMBL26969986 0.62 CHRNB2 (0.36) CHRNB2CHRNA4
SCHEMBL28560138 0.61 CHRNB2 (0.38) CHRNB2CHRNA4ALDH1A1
SCHEMBL18632593 0.60 CHRNB2 (0.41) CHRNB2CHRNA4TRPM5TDP1
SCHEMBL12214260 0.59 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL20722496 0.58 SLC6A4 (0.36) CHRNB2CHRNA4CHRNB4MEN1KMT2A

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 5 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-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
US-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them GEORGETOWN UNIVERSITY (US) 2008-06-05 — — US disclosed
WO-2005000806-A2 LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, AND METHODS OF MAKING AND USING THEM GEORGETOWN UNIVERSITY (US) 2005-01-06 — — 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 36/4885CHRNA4 4/4885CHRNA7 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.

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