SCHEMBL3273941

SCHEMBL3273941

CS(=O)(=O)O[C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
RECQL P46063 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ACHE P22303 2/20 0.50
HTR2A P28223 1/20 0.50
ALDH1A1 P00352 1/20 0.49
BCHE P06276 4/20 0.48
DRD2 P14416 1/20 0.48
BACE1 P56817 1/20 0.47
MAOB P27338 1/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL608203 1.00 SMN1; SMN2 (0.51) SMN1; SMN2RECQLHRH3ACHEHTR2A
SCHEMBL608204 1.00 SMN1; SMN2 (0.51) SMN1; SMN2RECQLHRH3ACHEHTR2A
SCHEMBL6279418 0.94 ALDH1A1 (0.57) SMN1; SMN2RECQLHRH3ACHEHTR2A
SCHEMBL28497475 0.92 BCHE (0.58) SMN1; SMN2RECQLHRH3ACHEALDH1A1
SCHEMBL19209909 0.92 BCHE (0.58) SMN1; SMN2RECQLHRH3ACHEALDH1A1
SCHEMBL5745231 0.92 BCHE (0.58) SMN1; SMN2RECQLHRH3ACHEALDH1A1
SCHEMBL5744278 0.91 HRH3 (0.59) SMN1; SMN2RECQLHRH3ACHEHTR2A
SCHEMBL5746137 0.88 FUCA1 (0.47) SMN1; SMN2RECQLHRH3ACHEHTR2A
SCHEMBL3890353 0.86 HRH3 (0.55) HRH3ACHEBCHEBACE1
SCHEMBL5184838 0.85 HRH3 (0.44) SMN1; SMN2RECQLHRH3ALDH1A1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963304-B2 ISOQUINOLINE DERIVATIVES MSD OSS BV (NL) 2015-05-13 EP disclosed
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7618985-B2 Isoquinoline derivatives N.V. ORGANON (NL) 2009-11-17 US disclosed
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed
EP-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
EP-1963304-B1 ISOQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-06-24 EP disclosed
US-7465751-B2 1-substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-16 US disclosed
EP-1963304-A1 ISOQUINOLINE DERIVATIVES N.V. Organon (NL) 2008-09-03 EP disclosed
US-20020040016-A1 Derivatives of azetidine and pyrrolidine MERCK SHARP & DOHME B.V. (NL) 2002-04-04 US disclosed
US-6337405-B1 MULTISTAGE REACTION OF PYRROLE SUBSTITUTED WITH SULFONATE GROUPS AND HYDROXYPHENYLACETIC ACID DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-01-08 US disclosed
US-6281243-B1 ANTIDEPRESSANTS, ANTISEROTONINE AGENT AKZO NOBEL N.V. (NL) 2001-08-28 US disclosed
US-6252088-B1 COUPLING A NITRILE CONTAININ NAPHTHALENE COMPOUND WITH A COMPOUND CONTAINING PROPIONIC ACID GROUP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-26 US disclosed
WO-1999043647-A1 DERIVATIVES OF AZETIDINE AND PYRROLIDINE AKZO NOBEL N.V. (NL) 1999-09-02 WO disclosed
EP-0936215-A1 PROCESS FOR PREPARING 2-PHENYL-3-NAPHTHYLPROPIONIC ACID DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed
EP-0863136-A1 Derivatives of azetidine and pyrrolidine Akzo Nobel N.V. (NL) 1998-09-09 EP disclosed
US-5466828-A Chiral 3-cyano-1-substituted-pyrrolidines WARNER-LAMBERT COMPANY (US) 1995-11-14 US disclosed
WO-1995001962-A1 PROCESS FOR THE PREPARATION OF CHIRAL 3-(1-AMINO-1,1-BISALKYLMETHYL)-1-SUBSTITUTED-PYRROLIDINES WARNER-LAMBERT COMPANY (US) 1995-01-19 WO disclosed
US-5347017-A Process for chiral 3-(1-amino-1,1-bisalkylmethyl)-1-substituted-pyrrolidines WARNER-LAMBERT COMPANY (US) 1994-09-13 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 (1 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-20020040016-A1 Derivatives of azetidine and pyrrolidine TPH1, TPH2, HTR1D SMN1; SMN2 1595/4885RECQL 1543/4885HRH3 344/4885

“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.