SCHEMBL1856334

SCHEMBL1856334

OCC1CCN2CCCC12

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.80
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ SLC18A3 Q16572 3/20 0.39
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37

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
SCHEMBL23043270 1.00 TDP1 (0.80) TDP1CHRM4CHRM5CHRM1CHRM3
SCHEMBL9540610 1.00 TDP1 (0.80) TDP1CHRM4CHRM5CHRM1CHRM3
SCHEMBL19317460 1.00 TDP1 (0.80) TDP1CHRM4CHRM5CHRM1CHRM3
SCHEMBL29366521 1.00 TDP1 (0.80) TDP1CHRM4CHRM5CHRM1CHRM3
SCHEMBL9040301 0.93 TDP1 (0.84) TDP1CHRM4CHRM5CHRM1CHRM3
SCHEMBL16757274 0.93 TDP1 (0.91) TDP1
SCHEMBL31501784 0.93 TDP1 (0.91) TDP1
Lupinine SCHEMBL2633852 0.89 TDP1 (1.00) TDP1
Lupinine SCHEMBL914675 0.89 TDP1 (1.00) TDP1
Lupinine SCHEMBL177708 0.89 TDP1 (1.00) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357686-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-01-22 — — US disclosed
US-RE43390-E1 Pleuromutilin derivatives as antimicrobials GLAXOSMITHKLINE LLC (US) 2012-05-15 — — US disclosed
US-8163741-B2 Use of aryl-substituted polycyclic amines as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-04-24 — — US disclosed
EP-1930330-B1 Pleuromutilin derivatives as antimicrobials SMITHKLINE BEECHAM LTD (GB) 2011-09-21 — — EP disclosed
EP-2323651-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS Summit Corporation Plc (GB) 2011-05-25 — — EP disclosed
WO-2010029313-A1 ANTIINFECTIVE COMPOUNDS SUMMIT CORPORATION PLC. (GB) 2010-03-18 — — WO disclosed
WO-2010015815-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2010-02-11 — — WO disclosed
US-20090258881-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-10-15 — — US disclosed
US-20090258872-A1 USE OF ARYL-SUBSTITUTED POLYCYCLIC AMINES AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-10-15 — — US disclosed
US-7569583-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-04 — — US disclosed
EP-1781656-B1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-19 — — EP disclosed
US-20070197584-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 — — US disclosed
EP-1781656-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2007-05-09 — — EP disclosed
US-RE39128-E1 ANTIBACTERIA DRUG; RESPIRATORY SYSTEM DISORDERS; OTITIS SMITHKLINE BEECHAM P.L.C. (GB) 2006-06-13 — — US disclosed
WO-2006018279-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-23 — — WO disclosed
EP-1028961-B1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM PLC (GB) 2004-09-29 — — EP disclosed
EP-1452534-A1 PLEUROMUTLIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM PLC (GB) 2004-09-01 — — EP disclosed
US-6281226-B1 Pleuromutilin derivatives as antimicrobials SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-28 — — US disclosed
EP-1028961-A1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM PLC (GB) 2000-08-23 — — EP disclosed
WO-1999021855-A1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM P.L.C. (GB) 1999-05-06 — — 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 (3 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-20070197584-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT TDP1 2402/4885CHRM4 2104/4885CHRM5 1326/4885
US-20090258872-A1 USE OF ARYL-SUBSTITUTED POLYCYCLIC AMINES AS MEDICAMENTS AADAT, NAT1, OAT TDP1 1792/4885CHRM4 1711/4885CHRM5 834/4885
US-20090258881-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT TDP1 2402/4885CHRM4 2104/4885CHRM5 1326/4885

“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.

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