SCHEMBL6359475

SCHEMBL6359475

Fc1ccc(C2CC3CCC2N3)cc1F

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.56
CHRNA3 P32297 4/20 0.56
CHRNB2 P17787 5/20 0.53
CHRNA4 P43681 5/20 0.53
CHRNA7 P36544 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CHRNA1 P02708 1/20 0.53
CHRNG P07510 1/20 0.53
CHRNB1 P11230 1/20 0.53
HPGD P15428 1/20 0.53
CHRND Q07001 1/20 0.53
CHRNA2 Q15822 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL6359473 1.00 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6360102 0.86 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6360098 0.86 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6357489 0.86 CHRNB2 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6357491 0.86 CHRNB2 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6362732 0.86 KDM1A (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6359672 0.86 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL6359675 0.86 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL6358995 0.83 KDM1A (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6358996 0.83 KDM1A (0.57) 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 12 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
JP-11322751-A None JP disclosed
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
JP-H11322751-A 7-HETERO-BICYCLO(2.2.1)-HEPTANES PFIZER PROD INC 1999-11-24 JP 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 183/4885CHRNB2 181/4885
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 7/4885CHRNB2 14/4885
US-20020035262-A1 7-hetero-bicyclo[2.2.1]-heptanes GRIN2C, CYP8B1, CYP11B2 CHRNB4 206/4885CHRNA3 211/4885CHRNB2 164/4885
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 CHRNB4 20/4885CHRNA3 6/4885CHRNB2 18/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 CHRNB4 20/4885CHRNA3 7/4885CHRNB2 19/4885

“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.