SCHEMBL3058809

SCHEMBL3058809

CN1CCCC1c1cncc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.62
CHRNA4 P43681 6/20 0.62
CHRNB4 P30926 5/20 0.62
CHRNA3 P32297 5/20 0.62
CHRNA1 P02708 4/20 0.62
CHRNA2 Q15822 3/20 0.62
CHRNG P07510 2/20 0.62
CHRNB1 P11230 2/20 0.62
CHRND Q07001 2/20 0.62
CHRNA7 P36544 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTR3E A5X5Y0 1/20 0.56
PSIP1 O75475 1/20 0.56
TRPA1 O75762 1/20 0.56
HTR3B O95264 1/20 0.56
MAPT P10636 1/20 0.56
CYP2A6 P11509 1/20 0.56
PTGS1 P23219 1/20 0.56

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
SCHEMBL17264284 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL3058805 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL20164036 0.93 CHRNB4 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL17258323 0.83 CHRNB4 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL30866535 0.82 CHRNB4 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL159159 0.82 CHRNB4 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL31019621 0.82 CHRNB4 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL159158 0.82 CHRNB4 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Nornicotine SCHEMBL21082930 0.81 CHRNA7 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1538366 0.81 CHRNB4 (0.62) 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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100260671-A1 COMPOUNDS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF AMYLOID ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-14 US claimed
WO-2008151073-A1 COMPOUNDS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF AMYLOID ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-12-11 WO claimed
CN-113373188-A Synthesis method of (S) -nicotine 重庆博腾制药科技股份有限公司 2021-09-10 CN disclosed
CN-105143216-B Antibacterial bis-aromatic derivative 爱杜西亚药品有限公司 2018-04-13 CN disclosed
EP-3143012-A1 CONJUGATES AND ASSOCIATED METHODS OF PRODUCING THEM FOR THE PREVENTION OR TREATMENT OF NICOTINE ADDICTION Pfizer Inc. (US) 2017-03-22 EP disclosed
US-9475793-B2 Conjugates and associated methods of producing them for the prevention or treatment of nicotine addiction PFIZER INC. (US) 2016-10-25 US disclosed
US-9475793-B2 Conjugates and associated methods of producing them for the prevention or treatment of nicotine addiction PFIZER INC. (US) 2016-10-25 US disclosed
US-9475793-B2 Conjugates and associated methods of producing them for the prevention or treatment of nicotine addiction PFIZER INC. (US) 2016-10-25 US disclosed
US-20160176846-A1 CONJUGATES AND ASSOCIATED METHODS OF PRODUCING THEM FOR THE PREVENTION OR TREATMENT OF NICOTINE ADDICTION PFIZER (US) 2016-06-23 US disclosed
US-20160176846-A1 CONJUGATES AND ASSOCIATED METHODS OF PRODUCING THEM FOR THE PREVENTION OR TREATMENT OF NICOTINE ADDICTION PFIZER (US) 2016-06-23 US disclosed
US-20160176846-A1 CONJUGATES AND ASSOCIATED METHODS OF PRODUCING THEM FOR THE PREVENTION OR TREATMENT OF NICOTINE ADDICTION PFIZER (US) 2016-06-23 US disclosed
EP-0739342-A1 PYRIDINE MODULATORS OF ACETYLCHOLINE RECEPTORS SIBIA NEUROSCIENCES, INC. (US) 1996-10-30 EP disclosed
WO-1996015123-A1 PYRIDINE MODULATORS OF ACETYLCHOLINE RECEPTORS SIBIA NEUROSCIENCES, INC. (US) 1996-05-23 WO disclosed
EP-0708633-A1 SURFACTANT SYSTEM THE PROCTER & GAMBLE COMPANY (US) 1996-05-01 EP disclosed
WO-1995018206-A1 PEROXYACID BLEACH PRECURSOR PARTICLE COATED WITH A WATER SOLUBLE ORGANIC ACID IN PARTICULATE FORM THE PROCTER & GAMBLE COMPANY (US) 1995-07-06 WO disclosed
WO-1995002390-A1 SURFACTANT SYSTEM THE PROCTER & GAMBLE COMPANY (US) 1995-01-26 WO disclosed
EP-0559495-A1 Treatment of neurodegenerative diseases R.J. REYNOLDS TOBACCO COMPANY (US) 1993-09-08 EP disclosed
EP-0559495-A1 Treatment of neurodegenerative diseases R.J. REYNOLDS TOBACCO COMPANY (US) 1993-09-08 EP disclosed
US-5242935-A Alzheimer*s disease, compounds with a pyridine and a pyrrole ring R. J. REYNOLDS TOBACCO COMPANY (US) 1993-09-07 US disclosed
US-5242935-A Alzheimer*s disease, compounds with a pyridine and a pyrrole ring R. J. REYNOLDS TOBACCO COMPANY (US) 1993-09-07 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 (2 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-20100260671-A1 COMPOUNDS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF AMYLOID ASSOCIATED DISEASES APP, HTT, SCN3A CHRNB2 19/4885CHRNA4 31/4885CHRNB4 25/4885
US-20160176846-A1 CONJUGATES AND ASSOCIATED METHODS OF PRODUCING THEM FOR THE PREVENTION OR TREATMENT OF NICOTINE ADDICTION NNMT, CHAT, CES2 CHRNB2 10/4885CHRNA4 37/4885CHRNB4 13/4885

“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.