SCHEMBL4406514

SCHEMBL4406514

FC(F)(F)c1cccc2c1C1CNCC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 1.00
CHRNA4 P43681 8/20 1.00
CHRNB4 P30926 3/20 0.55
CHRNA3 P32297 3/20 0.55
HTR2C P28335 8/20 0.47
PNMT P11086 1/20 0.45
HTR2A P28223 6/20 0.44
HTR2B P41595 6/20 0.44
CHRNA7 P36544 1/20 0.43

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 SCHEMBL5526042 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3HTR2C
SCHEMBL4406657 0.79 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL4404968 0.77 CHRNB2 (0.96) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25026250 0.76 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3HTR2C
SCHEMBL5650973 0.75 CHRNB2 (0.60) CHRNB2CHRNA4HTR2CPNMTHTR2A
SCHEMBL5552804 0.75 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5688770 0.74 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3HTR2C
Hydrochloric Acid SCHEMBL4689080 0.74 CHRNB2 (0.96) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4606279 0.74 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30118728 0.72 CHRNB4 (1.00) 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1619192-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-12-30 EP claimed
US-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 US claimed
US-7144882-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-12-05 US claimed
EP-1699488-A2 THERAPEUTIC COMBINATION FOR COGNITION ENHANCEMENT AND PSYCHOTIC DISORDERS Pfizer Products Incorporated (US) 2006-09-13 EP claimed
EP-1259489-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2006-06-07 EP claimed
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US claimed
US-20050215571-A1 Therapeutic combination for cognititon enhancement and psychotic disorders PFIZER INC. 2005-09-29 US claimed
WO-2005063296-A2 THERAPEUTIC COMBINATION FOR COGNITION ENHANCEMENT AND PSYCHOTIC DISORDERS PFIZER PRODUCTS INC. (US) 2005-07-14 WO claimed
US-6887884-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2005-05-03 US claimed
EP-1439836-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME Pfizer Products Inc. (US) 2004-07-28 EP claimed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US claimed
US-20030130260-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-07-10 US claimed
WO-2003037329-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME PFIZER PRODUCTS INC. (US) 2003-05-08 WO claimed
EP-1619192-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-12-30 EP disclosed
US-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 US disclosed
US-20070066827-A1 Process for the preparation of aryl fused polycyclic lactams PFIZER INC. 2007-03-22 US disclosed
US-6605610-B1 Reducing nicotine addiction; treating neurological and psychological disorders PFIZER INC 2003-08-12 US disclosed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US disclosed
US-20030130260-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-07-10 US disclosed
US-6410550-B1 Aryl fused azapolycyclic compounds PFIZER INC 2002-06-25 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 (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-20050215571-A1 Therapeutic combination for cognititon enhancement and psychotic disorders CHRNA3, CHRNA7, CHRNA2 CHRNB2 11/4885CHRNA4 6/4885CHRNB4 13/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A CHRNB2 297/4885CHRNA4 236/4885CHRNB4 524/4885
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-20070066827-A1 Process for the preparation of aryl fused polycyclic lactams PAICS, GRIN2C, FDPS CHRNB2 2093/4885CHRNA4 1122/4885CHRNB4 1947/4885
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.