SCHEMBL204448

SCHEMBL204448

[CH]1CCCC2CCCCN12

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.31
CTDSP1 Q9GZU7 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
SCHEMBL6641164 0.95 CTDSP1 (0.34) HTR6CTDSP1
SCHEMBL735596 0.95 CTDSP1 (0.34) HTR6CTDSP1
SCHEMBL2007704 0.93 CTDSP1 (0.33) HTR6CTDSP1
SCHEMBL737622 0.93 CTDSP1 (0.33) HTR6CTDSP1
SCHEMBL735469 0.92 CTDSP1 (0.31) CTDSP1
SCHEMBL175373 0.92
SCHEMBL738719 0.90 CTDSP1 (0.34) CTDSP1
SCHEMBL2009169 0.90 SLC18A3 (0.31) CTDSP1
SCHEMBL14343220 0.90
SCHEMBL736119 0.90 SLC18A3 (0.31) CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43390-E1 Pleuromutilin derivatives as antimicrobials GLAXOSMITHKLINE LLC (US) 2012-05-15 US claimed
EP-1930330-B1 Pleuromutilin derivatives as antimicrobials SMITHKLINE BEECHAM LTD (GB) 2011-09-21 EP claimed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US claimed
EP-1725102-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-04-29 EP claimed
EP-1930330-A1 Pleuromutilin derivatives as antimicrobials SMITHKLINE BEECHAM PLC (GB) 2008-06-11 EP claimed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US claimed
EP-1725102-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
US-20060166341-A1 Method for reproducing pleuromutilins GLAXO GROUP LIMITED (GB) 2006-07-27 US claimed
US-7074929-B2 Certain alkylene diamine-substituted heterocycles NEUROGEN CORP. (US) 2006-07-11 US claimed
US-RE39128-E1 ANTIBACTERIA DRUG; RESPIRATORY SYSTEM DISORDERS; OTITIS SMITHKLINE BEECHAM P.L.C. (GB) 2006-06-13 US claimed
US-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US claimed
US-6281226-B1 Pleuromutilin derivatives as antimicrobials SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-28 US claimed
WO-2001023389-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED HETEROCYCLES NEUROGEN CORPORATION (US) 2001-04-05 WO claimed
WO-2001023387-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 WO claimed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 WO claimed
US-6121281-A Azabicyclic carbamoyloxy mutilin derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2000-09-19 US claimed
EP-1028961-A1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM PLC (GB) 2000-08-23 EP claimed
EP-0934316-A1 AZABICYCLIC CARBAMOYLOXY MUTILIN DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP claimed
WO-1999021855-A1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM P.L.C. (GB) 1999-05-06 WO claimed
WO-1998005659-A1 AZABICYCLIC CARBAMOYLOXY MUTILIN DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 1998-02-12 WO 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 (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-20080009490-A1 Hiv Integrase Inhibitors TYMS, UNG, TYMP HTR6 4512/4885CTDSP1 212/4885

“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.