SCHEMBL2089382

SCHEMBL2089382

O=C(OCc1ccccc1)N1CCC(N2CCN(c3ccc(N4C[C@H](CO)OC4=O)cc3F)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 6/20 0.47
▸ SIGMAR1 Q99720 6/20 0.47
▸ HTR1A P08908 2/20 0.47
▸ HRH2 P25021 2/20 0.47
▸ HRH1 P35367 2/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ MAOB P27338 8/20 0.47
▸ MAOA P21397 3/20 0.47
▸ CALML3 P27482 3/20 0.47
▸ CHRM4 P08173 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ DRD3 P35462 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
SCHEMBL1498683 0.93 MAOB (0.53) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5327254 0.93 MAOB (0.53) MAOBMAOACALML3LMNAPTGS1
SCHEMBL2089395 0.90 MAOB (0.61) MAOBMAOACALML3LMNAPTGS1
SCHEMBL2089448 0.90 MAOB (0.61) MAOBMAOACALML3LMNAPTGS1
SCHEMBL2089393 0.86 TMEM97 (0.44) TMEM97SIGMAR1HTR1AHRH2HRH1
SCHEMBL6645557 0.86 TMEM97 (0.44) TMEM97SIGMAR1HTR1AHRH2HRH1
SCHEMBL12665684 0.85 MAOB (0.56) MAOBMAOACALML3LMNAPTGS1
SCHEMBL1498789 0.85 MAOB (0.53) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5417793 0.85 MAOB (0.53) MAOBMAOACALML3LMNAPTGS1
SCHEMBL7831660 0.85 CALML3 (0.51) MAOBMAOACALML3LMNAPTGS1

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 8 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
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
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-2003031441-A1 MULTIPLE ACTION COMPOUNDS MORPHOCHEN AKTIENGESELLSCHAFT FÜR KOMBINATORISCHE CHEMIE (DE) 2003-04-17 — — 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

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 TMEM97 2684/4885SIGMAR1 1702/4885HTR1A 4741/4885
US-20110059946-A1 DUAL ACTION ANTIBIOTICS SLC11A2, MRPL21, MAP2K5 TMEM97 2243/4885SIGMAR1 1314/4885HTR1A 4758/4885

“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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