SCHEMBL6359729

SCHEMBL6359729

Fc1cc(C2CC3CCC2N3)ccc1-n1cnnn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA7 P36544 1/20 0.42

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 SCHEMBL7060297 0.99 CHRNA7 (0.43) CHRNB2CHRNA4CHRNA7
SCHEMBL6360574 0.80 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6364596 0.76 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6359475 0.75 CHRNB4 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6359473 0.75 CHRNB4 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6357480 0.74 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6362732 0.72 KDM1A (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6357491 0.72 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6360102 0.72 CHRNB4 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6359675 0.72 CHRNB4 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US claimed
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US disclosed
US-20030236405-A1 A nicotinic acetylcholine receptors, treating neurological and psychological disorders inflamnmatory bowel disease, irritable bowel syndrome, spastic dystonia, pain, vasoconstriction, anxiety, autism, depression, bipolar disorder YOHANNES DANIEL (US) 2003-12-25 US disclosed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US disclosed
US-20020038028-A1 For therapy of neurological and psychological disorders are claimed. YOHANNES DANIEL (US) 2002-03-28 US disclosed
US-20020035262-A1 7-hetero-bicyclo[2.2.1]-heptanes YOHANNES DANIEL (US) 2002-03-21 US disclosed
EP-0955301-A2 7-aza-bicyclo[2.2.1]-heptane derivatives, their preparation and use according to their affinity for neuronal nicotinic acetylchloline receptors Pfizer Products Inc. (US) 1999-11-10 EP 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-20020038028-A1 For therapy of neurological and psychological disorders are claimed. GRIN2C, PNMT, GRIA4 CHRNB2 181/4885CHRNA4 102/4885CHRNB4 162/4885
US-20030236405-A1 A nicotinic acetylcholine receptors, treating neurological and psychological disorders inflamnmatory bowel disease, irritable bowel syndrome, spastic dystonia, pain, vasoconstriction, anxiety, autism, depression, bipolar disorder CHRNA1, CHRNA6, CHRNA2 CHRNB2 14/4885CHRNA4 8/4885CHRNB4 19/4885
US-20020035262-A1 7-hetero-bicyclo[2.2.1]-heptanes GRIN2C, CYP8B1, CYP11B2 CHRNB2 164/4885CHRNA4 181/4885CHRNB4 206/4885
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 CHRNB2 18/4885CHRNA4 8/4885CHRNB4 20/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 CHRNB2 19/4885CHRNA4 4/4885CHRNB4 20/4885

“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.