Nerispirdine

Nerispirdine

SCHEMBL3855895

CCCN(c1ccncc1F)n1cc(C)c2ccccc21.Cl

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

The experimentally established mechanism targets of Nerispirdine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.65
BCHE P06276 3/20 0.61
CYP2D6 P10635 1/20 0.34

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
Nerispirdine SCHEMBL3842518 0.99 SLC6A2 (0.67) SLC6A2BCHECYP2D6
Nerispirdine SCHEMBL29379158 0.99 SLC6A2 (0.67) SLC6A2BCHECYP2D6
SCHEMBL8946036 0.89 BCHE (0.54) SLC6A2BCHECYP2D6
SCHEMBL8442522 0.88 SLC6A2 (0.71) SLC6A2BCHECYP2D6
Hydrochloric Acid SCHEMBL7609627 0.85 SLC6A2 (0.49) SLC6A2BCHECYP2D6
SCHEMBL7613191 0.85 SLC6A2 (0.67) SLC6A2BCHECYP2D6
SCHEMBL13570044 0.85 SLC6A2 (0.67) SLC6A2BCHECYP2D6
SCHEMBL9671889 0.84 BCHE (0.58) SLC6A2BCHE
Hydrochloric Acid SCHEMBL7613979 0.84 SLC6A2 (0.48) SLC6A2BCHECYP2D6
SCHEMBL7614150 0.84 SLC6A2 (0.50) SLC6A2BCHECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420593-B1 Compositions and methods for regulating membrane potential MILLER LANDON C G (US) 2013-04-16 US disclosed
EP-2138176-A1 Method of treating cognitive impairment Aventis Pharmaceuticals Inc. (US) 2009-12-30 EP disclosed
US-20090281147-A1 METHOD OF TREATING OF DEMYELINATING DISEASES OR CONDITIONS AVENTIS PHARMACEUTICALS INC. (US) 2009-11-12 US disclosed
EP-1734959-B1 COMPOUNDS FOR TREATING SCHIZOPHRENIA AND/OR GLUCOREGULATORY ABNORMALITIES AVENTIS PHARMA INC (US) 2009-10-28 EP disclosed
US-7534803-B2 Method of treating demyelinating diseases or conditions AVENTIS PHARMACEUTICALS INC. (US) 2009-05-19 US disclosed
EP-1678135-B1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AVENTIS PHARMA INC (US) 2009-05-13 EP disclosed
US-7230015-B2 Method of treating of demyelinating diseases or conditions AVENTIS PHARMACEUTICALS INC. (US) 2007-06-12 US disclosed
US-20070129403-A1 METHOD OF TREATING SCHIZOPHRENIA AND/OR GLUCOREGULATORY ABNORMALITIES AVENTIS PHARMACEUTICALS INC. (US) 2007-06-07 US disclosed
US-7179821-B2 Method of treating of demyelinating diseases or conditions AVENTIS PHARMACEUTICALS INC. (US) 2007-02-20 US disclosed
EP-1734959-A2 METHOD OF TREATING SCHIZOPHRENIA AND/OR GLUCOREGULATORY ABNORMALITIES Aventis Pharmaceuticals, Inc. (US) 2006-12-27 EP disclosed
US-5776955-A Use of unsubstituted and substituted n-(pyrrol-1-yl)pyridinamines as anticonvulsant agents HOECHST MARION ROUSSEL, INC. 1998-07-07 US disclosed
EP-0840609-A1 USE OF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-05-13 EP disclosed
WO-1997004777-A1 USE OFF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-02-13 WO disclosed
EP-0635269-A1 Use of N-(Pyridinyl)-1H-Indol-1-Amines for the preparation of a medicament for the treatment of obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-01-25 EP disclosed
EP-0287982-B1 N-(Pyridinyl)-1H-indol-1-amines, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1994-12-07 EP disclosed
US-5356910-A Use of N-(pyridinyl)-1H-indol-1-amines for the treatment of obsessive-compulsive disorder HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-10-18 US disclosed
US-5039811-A Analgesics, antidepressants, memory activators; condensation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-13 US disclosed
US-4970218-A ANALGESIC, ANTIDEPRESSANT, MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 US disclosed
US-4880822-A COGNITION ACTIVATORS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-11-14 US disclosed
EP-0287982-A2 N-(Pyridinyl)-1H-indol-1-amines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-10-26 EP 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-20070129403-A1 METHOD OF TREATING SCHIZOPHRENIA AND/OR GLUCOREGULATORY ABNORMALITIES HCRTR1, CBR1, SLC5A1 SLC6A2 64/4885BCHE 463/4885CYP2D6 1146/4885
US-20090281147-A1 METHOD OF TREATING OF DEMYELINATING DISEASES OR CONDITIONS PMP22, BDKRB1, BDKRB2 SLC6A2 1049/4885BCHE 977/4885CYP2D6 2592/4885

“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.