SCHEMBL2088465

SCHEMBL2088465

O=C(OCc1ccccc1)N1CCC(Nc2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CALML3 P27482 7/20 0.48
▸ MAPT P10636 1/20 0.44
▸ F13A1 P00488 1/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ TGM1 P22735 1/20 0.43
▸ MAOB P27338 6/20 0.43
▸ MAOA P21397 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ SDHA P31040 1/20 0.41
▸ ENPP2 Q13822 1/20 0.40

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
SCHEMBL2089443 0.93 MAPT (0.44) CALML3MAPTF13A1TGM2TGM1
SCHEMBL2087620 0.90 MAOA (0.55) CALML3MAOBMAOALMNAPTGS1
SCHEMBL5327254 0.87 MAOB (0.53) CALML3MAPTMAOBMAOANPC1
SCHEMBL1498683 0.87 MAOB (0.53) CALML3MAPTMAOBMAOANPC1
SCHEMBL2089382 0.84 TMEM97 (0.47) CALML3MAOBMAOALMNAPTGS1
SCHEMBL7831660 0.81 CALML3 (0.51) CALML3MAOBMAOALMNAPTGS1
SCHEMBL541401 0.81 CALML3 (0.47) CALML3MAOBMAOASMN1; SMN2NPC1
SCHEMBL541400 0.81 CALML3 (0.47) CALML3MAOBMAOASMN1; SMN2NPC1
SCHEMBL27371358 0.81 CALML3 (0.55) CALML3MAOBMAOACYP2C19
SCHEMBL6397079 0.81 CALML3 (0.55) CALML3MAOBMAOACYP2C19

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-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 CALML3 4003/4885MAPT 4706/4885F13A1 4719/4885
US-20110059946-A1 DUAL ACTION ANTIBIOTICS SLC11A2, MRPL21, MAP2K5 CALML3 3730/4885MAPT 4701/4885F13A1 4744/4885

“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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