SCHEMBL3452963

SCHEMBL3452963

CN1CCC[C@H]1c1cncc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.62
CHRNA3 P32297 5/20 0.62
CHRNA1 P02708 4/20 0.62
CHRNB2 P17787 4/20 0.62
CHRNA4 P43681 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
ALDH1A1 P00352 2/20 0.56
CHRNA7 P36544 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
SCHEMBL7749577 1.00 CHRNB4 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL5412359 0.83 CHRNB4 (0.45) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL6972891 0.83 CHRNB4 (0.60) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL159159 0.82 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL31019621 0.82 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL159158 0.82 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL30866535 0.82 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL1538368 0.81 CHRNB4 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL3059325 0.81 CHRNB2 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL1831992 0.81 CHRNB4 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804195-A2 DEPOLARIZING SKELETAL MUSCLE RELAXANTS R.J. REYNOLDS TOBACCO COMPANY (US) 1997-11-05 EP claimed
WO-1996007410-A2 DEPOLARIZING SKELETAL MUSCLE RELAXANTS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-03-14 WO claimed
US-20130131015-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2013-05-23 US disclosed
US-20130131015-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2013-05-23 US disclosed
US-20130131015-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2013-05-23 US disclosed
US-8389732-B2 Synthesis and regioselective substitution of 6-halo- and 6-alkoxy nicotine derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2013-03-05 US disclosed
US-8389732-B2 Synthesis and regioselective substitution of 6-halo- and 6-alkoxy nicotine derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2013-03-05 US disclosed
US-8389732-B2 Synthesis and regioselective substitution of 6-halo- and 6-alkoxy nicotine derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2013-03-05 US disclosed
US-20100331323-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES COMINS DANIEL L 2010-12-30 US disclosed
US-20100331323-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES COMINS DANIEL L 2010-12-30 US disclosed
US-20100331323-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES COMINS DANIEL L 2010-12-30 US disclosed
EP-1074256-A2 Depolarizing skeletal muscle relaxants R.J. REYNOLDS TOBACCO COMPANY (US) 2001-02-07 EP disclosed
EP-0804195-A2 DEPOLARIZING SKELETAL MUSCLE RELAXANTS R.J. REYNOLDS TOBACCO COMPANY (US) 1997-11-05 EP disclosed
EP-0804195-A2 DEPOLARIZING SKELETAL MUSCLE RELAXANTS R.J. REYNOLDS TOBACCO COMPANY (US) 1997-11-05 EP disclosed
US-5559124-A QUINUCLIDINE DERIVATIVE TARGACEPT, INC., A CORPORATION OF DELAWARE 1996-09-24 US disclosed
WO-1996007410-A3 DEPOLARIZING SKELETAL MUSCLE RELAXANTS REYNOLDS TOBACCO CO R (US) 1996-05-30 WO disclosed
US-5510355-A ADMINISTERING 2-(3-PYRIDYL)-QUINUCLILIDINE DERIVATIVE TO THE PATIENT UNDERGOING SURGICAL PROCEDURE REQUIRING ANESTHESIA AS A MUSCLE RELEXANT TARGACEPT, INC., A CORPORATION OF DELAWARE 1996-04-23 US disclosed
US-5510355-A ADMINISTERING 2-(3-PYRIDYL)-QUINUCLILIDINE DERIVATIVE TO THE PATIENT UNDERGOING SURGICAL PROCEDURE REQUIRING ANESTHESIA AS A MUSCLE RELEXANT TARGACEPT, INC., A CORPORATION OF DELAWARE 1996-04-23 US disclosed
WO-1996007410-A2 DEPOLARIZING SKELETAL MUSCLE RELAXANTS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-03-14 WO disclosed
WO-1996007410-A2 DEPOLARIZING SKELETAL MUSCLE RELAXANTS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-03-14 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 (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-20100331323-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES CHRNA6, CHRNA7, CHRNA4 CHRNB4 11/4885CHRNA3 5/4885CHRNA1 7/4885
US-20130131015-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES CHRNA6, CHRNA7, CHRNA4 CHRNB4 11/4885CHRNA3 5/4885CHRNA1 7/4885

“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.