SCHEMBL946511

SCHEMBL946511

C1CCC(N2CCNCC2)[N]C1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
RAD52 P43351 1/20 0.31

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
SCHEMBL4453791 0.98 HTR6 (0.38) HTR6RAD52
SCHEMBL1647530 0.94 HTR6 (0.36) HTR6
SCHEMBL6274716 0.88 HTR6 (0.37) HTR6
SCHEMBL157427 0.82 CYP2D6 (0.33) HTR6
SCHEMBL2010172 0.82 HTR6 (0.35) HTR6
SCHEMBL1428236 0.82
SCHEMBL6487010 0.82 HTR6 (0.34) HTR6
SCHEMBL4712511 0.80 CYP2D6 (0.32) HTR6
SCHEMBL3658217 0.80 CYP2D6 (0.32) HTR6
SCHEMBL2229452 0.80 CYP2D6 (0.32) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115835911-A Imidazo [1,2-a ] pyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-03-21 CN claimed
CN-112673003-A Novel pyrrolidine amine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-16 CN claimed
EP-1784399-B1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-06-15 EP claimed
JP-4674236-B2 2011-04-20 JP claimed
US-7910585-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2011-03-22 US claimed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 US claimed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP claimed
US-20080293708-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2008-11-27 US claimed
JP-2008510765-A 2008-04-10 JP claimed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US claimed
US-6864254-B1 Inhibitor for 20-hete-yielding enzyme TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-03-08 US claimed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP claimed
WO-2004085421-A2 BIOREDUCTIVELY-ACTIVATED PRODRUGS ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2004-10-07 WO claimed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO claimed
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP claimed
US-5814656-A Selective prevention of organ injury is sepsis and shock using selective release of nitric oxide vulnerable organs THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-09-29 US claimed
EP-0191045-B1 USE OF 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACID DERIVATIVES ZAMBON S.p.A. (IT) 1989-12-20 EP claimed
US-4774246-A 6,8-DIFLUORO-4-OXO-3-CARBOXYLIC ACID DERIVATIVES ABBOTT LABORATORIES (US) 1988-09-27 US claimed
EP-0071892-B1 PHOSPHOLIPID DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-23 EP claimed

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-20050165049-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 HTR6 136/4885RAD52 1600/4885
US-20080293708-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS HTR6 2155/4885RAD52 858/4885

“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.