SCHEMBL372800

SCHEMBL372800

c1cncc(C2CCC3CCN2CC3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 1.00
CHRNB2 P17787 4/20 0.79
CHRNA4 P43681 4/20 0.79
ALDH1A1 P00352 3/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
CHRNA2 Q15822 2/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTR3E A5X5Y0 1/20 0.54
PSIP1 O75475 1/20 0.54
TRPA1 O75762 1/20 0.54
HTR3B O95264 1/20 0.54
CHRNA1 P02708 1/20 0.54
CHRNG P07510 1/20 0.54
MAPT P10636 1/20 0.54
CHRNB1 P11230 1/20 0.54
CYP2A6 P11509 1/20 0.54
PTGS1 P23219 1/20 0.54
CHRNA5 P30532 1/20 0.54

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
SCHEMBL5378467 1.00 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL5389874 1.00 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL29733346 1.00 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Hydrochloric Acid SCHEMBL31393035 0.98 CHRNA7 (0.97) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Hydrochloric Acid SCHEMBL5373327 0.98 CHRNA7 (0.97) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Hydrochloric Acid SCHEMBL5378422 0.98 CHRNA7 (0.97) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Hydrochloric Acid SCHEMBL5380807 0.98 CHRNA7 (0.97) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Hydrochloric Acid SCHEMBL5376224 0.98 CHRNA7 (0.97) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Hydrochloric Acid SCHEMBL5378430 0.98 CHRNA7 (0.97) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Hydrochloric Acid SCHEMBL5373324 0.98 CHRNA7 (0.97) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214686-B2 Pharmaceutical compositions and methods for effecting dopamine release TARGACEPT, INC. (US) 2007-05-08 US claimed
US-20040220214-A1 Pharmaceutical compositions and methods for effecting dopamine release TARGACEPT, INC. 2004-11-04 US claimed
EP-0994875-B1 3-PYRIDYL-1-AZABICYCLOALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS TARGACEPT INC (US) 2004-03-10 EP claimed
CN-118666833-B Preparation method of 2- (5-bromopyridine-3-yl) quinuclidine 龙曦宁(上海)医药科技有限公司 2024-12-13 CN disclosed
CN-118666833-A Preparation method of 2- (5-bromopyridine-3-yl) quinuclidine 龙曦宁(上海)医药科技有限公司 2024-09-20 CN disclosed
US-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF BISCAYNE NEUROTHERAPEUTICS, INC. 2015-07-09 US disclosed
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS TARGACEPT, INC. (US) 2014-08-21 US disclosed
EP-2484363-A1 (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)-5-methylthiophene-2-carboxamide Targacept, Inc. (US) 2012-08-08 EP disclosed
EP-2409703-A1 Treatment with alpha7-selective ligands Targacept, Inc. (US) 2012-01-25 EP disclosed
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-10-27 US disclosed
EP-2364150-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS Targacept Inc. (US) 2011-09-14 EP disclosed
US-6624173-B1 Characterized by an alteration in normal neurotransmitter release, such as dopamine release (e.g., Parkinsonism, Parkinson's Disease, Tourette's Syndrome, attention deficient disorder, or schizophrenia) treated by TARGACEPT, INC. 2003-09-23 US disclosed
US-20030158211-A1 Methods and compositions for treatment of central nervous system disorders MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. 2003-08-21 US disclosed
WO-2003051302-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2003-06-26 WO disclosed
US-6525065-B1 Central nervous system disorders; administering an endo or exo form of a 1-aza-2-(3-pyridyl)bicyclo(2.2.1)heptane, or a 1-aza-7-(3-pyridyl)bicyclo(3.2.2) nonane, or a 1-aza-2-(3-pyridyl)bicyclo(2.2.2)octane TARGACEPT, INC. 2003-02-25 US disclosed
US-6525065-B1 Central nervous system disorders; administering an endo or exo form of a 1-aza-2-(3-pyridyl)bicyclo(2.2.1)heptane, or a 1-aza-7-(3-pyridyl)bicyclo(3.2.2) nonane, or a 1-aza-2-(3-pyridyl)bicyclo(2.2.2)octane TARGACEPT, INC. 2003-02-25 US disclosed
EP-0994875-A1 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-26 EP disclosed
EP-0994875-A1 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-26 EP disclosed
WO-1999000385-A1 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-01-07 WO disclosed
WO-1999000385-A1 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-01-07 WO 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-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF HTT, HNMT, GAP43 CHRNA7 50/4885CHRNB2 44/4885CHRNA4 68/4885
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS CHRNA7, CHRNA2, CHRNA4 CHRNA7 1/4885CHRNB2 6/4885CHRNA4 3/4885
US-20040220214-A1 Pharmaceutical compositions and methods for effecting dopamine release COMT, SLC6A3, PARK7 CHRNA7 27/4885CHRNB2 16/4885CHRNA4 74/4885
US-20030158211-A1 Methods and compositions for treatment of central nervous system disorders JAK2, ERBB2, ERBB3 CHRNA7 46/4885CHRNB2 17/4885CHRNA4 30/4885
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS CHRNA7, CHRNA4, CHRNA2 CHRNA7 1/4885CHRNB2 6/4885CHRNA4 2/4885

“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.