SCHEMBL6359532

SCHEMBL6359532

Oc1cccc(C2CC3CCC2N3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 1.00
CHRNA3 P32297 4/20 1.00
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CHRNB2 P17787 5/20 0.48
CHRNA4 P43681 5/20 0.48
CHRNA7 P36544 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRNA1 P02708 1/20 0.48
CHRNG P07510 1/20 0.48
CHRNB1 P11230 1/20 0.48
HPGD P15428 1/20 0.48
CHRND Q07001 1/20 0.48
CHRNA2 Q15822 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6359530 1.00 CHRNB4 (1.00) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL6359114 0.81 CHRNB4 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL10122764 0.81 CHRNB4 (0.68) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL6359115 0.81 CHRNB4 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6663087 0.81 CHRNB4 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6358950 0.81 CHRNB4 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6363932 0.80 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL8320771 0.79 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL7957918 0.79 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL9221449 0.79 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US claimed
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
EP-1439836-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME Pfizer Products Inc. (US) 2004-07-28 EP 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
WO-2003037329-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME PFIZER PRODUCTS INC. (US) 2003-05-08 WO 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 CHRNB4 162/4885CHRNA3 183/4885SLC6A2 49/4885
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 CHRNB4 19/4885CHRNA3 7/4885SLC6A2 121/4885
US-20020035262-A1 7-hetero-bicyclo[2.2.1]-heptanes GRIN2C, CYP8B1, CYP11B2 CHRNB4 206/4885CHRNA3 211/4885SLC6A2 767/4885
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 CHRNB4 20/4885CHRNA3 6/4885SLC6A2 153/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 CHRNB4 20/4885CHRNA3 7/4885SLC6A2 192/4885

“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.