SCHEMBL12190831

SCHEMBL12190831

CN1CCC[C@H]1COc1cncc(C#CCCCCI)c1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 14/20 0.81
CHRNB2 P17787 14/20 0.81
CHRNB4 P30926 7/20 0.66
CHRNB1 P11230 3/20 0.66
CHRNB3 Q05901 3/20 0.66
CHRNA2 Q15822 1/20 0.64
CHRNA4 P43681 5/20 0.57

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
SCHEMBL13322058 0.91 CHRNB2 (0.94) CHRNA3CHRNB2CHRNB4CHRNB1CHRNB3
SCHEMBL7672186 0.90 CHRNB2 (0.92) CHRNA3CHRNB2CHRNB4CHRNB1CHRNB3
SCHEMBL6584638 0.90 CHRNB2 (0.92) CHRNA3CHRNB2CHRNB4CHRNB1CHRNB3
SCHEMBL13322060 0.90 CHRNA3 (0.81) CHRNA3CHRNB2CHRNB4CHRNB1CHRNB3
SCHEMBL2499415 0.90 CHRNA3 (1.00) CHRNA3CHRNB2CHRNB4CHRNB1CHRNB3
SCHEMBL6584306 0.90 CHRNB2 (0.92) CHRNA3CHRNB2CHRNB4CHRNB1CHRNB3
SCHEMBL12122171 0.90 CHRNA3 (1.00) CHRNA3CHRNB2CHRNB4CHRNB1CHRNB3
SCHEMBL14311704 0.90 CHRNA3 (1.00) CHRNA3CHRNB2CHRNB4CHRNB1CHRNB3
SCHEMBL14311700 0.90 CHRNA3 (0.81) CHRNA3CHRNB2CHRNB4CHRNB1CHRNB3
SCHEMBL13322055 0.90 CHRNB2 (1.00) CHRNA3CHRNB2CHRNB4CHRNB1CHRNB3

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 2 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

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 CHRNA3 20/4885CHRNB2 36/4885CHRNB4 26/4885

“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.