SCHEMBL2089705

SCHEMBL2089705

CCN=CC1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
MC4R P32245 1/20 0.44
ACHE P22303 2/20 0.43
LMNA P02545 2/20 0.43
BCHE P06276 2/20 0.43
BACE1 P56817 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HRH2 P25021 1/20 0.41

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
SCHEMBL2089692 1.00 SIGMAR1 (0.46) SIGMAR1MC4RACHELMNABCHE
SCHEMBL6726679 0.82 SIGMAR1 (0.50) SIGMAR1MC4RLMNAALDH1A1
SCHEMBL2089277 0.81 SIGMAR1 (0.53) SIGMAR1MC4RACHELMNABCHE
Hydrochloric Acid SCHEMBL29257059 0.80 SIGMAR1 (0.52) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL4292791 0.80 SIGMAR1 (0.52) SIGMAR1MC4RACHELMNABCHE
SCHEMBL4842229 0.80 SIGMAR1 (0.52) SIGMAR1MC4RACHELMNABCHE
SCHEMBL4836946 0.80 SIGMAR1 (0.52) SIGMAR1MC4RACHELMNABCHE
SCHEMBL7240008 0.80 SIGMAR1 (0.52) SIGMAR1MC4RACHELMNABCHE
SCHEMBL27798980 0.77 SIGMAR1 (0.49) SIGMAR1MC4RACHELMNAPOLB
SCHEMBL5563432 0.76 SIGMAR1 (0.47) SIGMAR1ACHELMNABCHEBACE1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329908-B2 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-12-11 US disclosed
CN-101381365-B Dual action antibiotics MORPHOCHEM AG KOMB CHEMIE 2011-07-06 CN disclosed
US-20110059946-A1 DUAL ACTION ANTIBIOTICS MORPHOCHEM AKTIENGESELLSCHAFT FUER KOMBINATORISCHE CHEMIE (DE) 2011-03-10 US disclosed
US-7820823-B2 Dual action antibiotics Morphochem Aktiengesellschaft Fur Kominatorische Chemi (DE) 2010-10-26 US disclosed
CN-101381365-A Dual action antibiotics MORPHOCHEM AG KOMB CHEMIE (DE) 2009-03-11 CN disclosed
CN-1630655-A Dual action antibiotics MORPHOCHEM AG FUER KOM (DE) 2005-06-22 CN disclosed
US-20050096343-A1 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2005-05-05 US disclosed
EP-1432705-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-06-30 EP disclosed
WO-2003032962-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-24 WO disclosed
WO-2003031443-A1 DUAL ACTIONS ANTIBIOTICS COMPRISING A OXAZOLDINONE AND A QUINOLONE OR NAPHTHYRIDINONE MOIETY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-17 WO disclosed
WO-2003031441-A1 MULTIPLE ACTION COMPOUNDS MORPHOCHEN AKTIENGESELLSCHAFT FÜR KOMBINATORISCHE CHEMIE (DE) 2003-04-17 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 (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-20050096343-A1 Dual action antibiotics SLC11A2, MRPL21, MAP2K5 SIGMAR1 1702/4885MC4R 4084/4885ACHE 4348/4885
US-20110059946-A1 DUAL ACTION ANTIBIOTICS SLC11A2, MRPL21, MAP2K5 SIGMAR1 1314/4885MC4R 4289/4885ACHE 4440/4885

“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.