SCHEMBL4412259

SCHEMBL4412259

N#Cc1ccc2c(c1)C1CNCC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 1.00
CHRNA4 P43681 13/20 1.00
CHRNB4 P30926 8/20 1.00
CHRNA3 P32297 8/20 1.00
CHRNA1 P02708 2/20 1.00
CHRNG P07510 2/20 1.00
CHRNB1 P11230 2/20 1.00
CHRND Q07001 2/20 1.00
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47

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 SCHEMBL4408107 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL5767352 0.89 CHRNB2 (0.81) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL6392186 0.88 CHRNB2 (0.78) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL6908685 0.82 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL16905570 0.79 CHRNA1 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL16905466 0.78 CHRNA1 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL3445492 0.78 CHRNA1 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL5996036 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL5686052 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL6824751 0.76 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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 98 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
EP-1658059-A1 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1658058-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1626738-A2 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS Pfizer Products Inc. (US) 2006-02-22 EP claimed
EP-1619192-A2 Aryl fused azapolycyclic compounds Pfizer Products Inc. (US) 2006-01-25 EP claimed
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US claimed
US-20030008892-A1 Pharmaceutical composition and method of modulating cholinergic function in a mammal PFIZER INC. 2003-01-09 US claimed
US-20020193360-A1 Use of GABAA inverse agonists in combination with nicotine receptor partial agonists, estrogen, selective estrogen modulators, or vitamin E for the treatment of cognitive disorders PFIZER INC. 2002-12-19 US claimed
WO-2002069948-A1 USE OF GABAA INVERSE AGONISTS IN COMBINATION WITH NICOTINE RECEPTOR PARTIAL AGONISTS, ESTROGEN, SELECTIVE ESTROGEN MODULATORS, OR VITAMIN E FOR THE TREATMENT OF COGNITIVE DISORDERS PFIZER PRODUCTS INC. (GB) 2002-09-12 WO claimed
US-20020016334-A1 Pharmaceutical composition for the treatment of attention deficit hyperactivity disorder (ADHD) COE JOTHAM WADSWORTH (US) 2002-02-07 US claimed
EP-1177798-A2 A pharmaceutical composition for the treatment of attention deficit hyperactivity disorder(ADHD) comprising a nicotine receptor partial agonist and anti-ADHD agent Pfizer Products Inc. (US) 2002-02-06 EP claimed
US-20020010192-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC. 2002-01-24 US claimed
EP-1159970-A2 A pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss, comprising a nicotine receptor partial agonist and an anti-obesity agent Pfizer Products Inc. (US) 2001-12-05 EP claimed
US-20010036943-A1 Pharmaceutical composition for treatment of acute, chronic pain and/or neuropathic pain and migraines PFIZER PRODUCTS INC. 2001-11-01 US claimed
US-20010036949-A1 Pharmaceutical composition and method of treatment of diseases of cognitive dysfunction in a mammal PFIZER PRODUCTS INC. 2001-11-01 US claimed
EP-1078637-A2 Composition for the treatment and prevention of nicotine addiction containing a nicotine receptor agonist and an anti-depressant or anti-anxiety drug Pfizer Products Inc. (US) 2001-02-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20020016334-A1 Pharmaceutical composition for the treatment of attention deficit hyperactivity disorder (ADHD) CHRNB4, CHRNA10, CHRNA7 CHRNB2 7/4885CHRNA4 11/4885CHRNB4 1/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 CHRNB2 19/4885CHRNA4 4/4885CHRNB4 20/4885
US-20020193360-A1 Use of GABAA inverse agonists in combination with nicotine receptor partial agonists, estrogen, selective estrogen modulators, or vitamin E for the treatment of cognitive disorders CHRNE, CHRNA10, GABRE CHRNB2 15/4885CHRNA4 10/4885CHRNB4 11/4885

“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.