SCHEMBL1845035

SCHEMBL1845035

O=C1COc2ccc(N3C[C@@H](CCI)OC3=O)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NR3C2 P08235 5/20 0.45
DRD4 P21917 5/20 0.44
DRD2 P14416 4/20 0.44
DRD3 P35462 3/20 0.44
PARP1 P09874 1/20 0.44
MMP12 P39900 1/20 0.44
MAPT P10636 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL1845036 1.00 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL591583 0.90 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1712073 0.90 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1711902 0.90 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL16179910 0.90 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1711906 0.90 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1723618 0.88 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL591558 0.88 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1711813 0.88 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL591862 0.88 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2

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-8466168-B2 Tricyclic alkylaminomethyloxazolidinone derivatives Actellon Pharmaceuticals Ltd. (CH) 2013-06-18 US disclosed
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
EP-2346862-B1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
US-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US disclosed
EP-2346862-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-07-27 EP disclosed
US-20110136795-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. 2011-06-09 US disclosed
EP-2321307-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-05-18 EP disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
WO-2010041219-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 WO disclosed
WO-2010015985-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-11 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 ALDH1A1 1608/4885KMT2A 751/4885SMN1; SMN2 3425/4885
US-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS UQCRB, XDH, TOP2B ALDH1A1 2026/4885KMT2A 1940/4885SMN1; SMN2 2361/4885
US-20110136795-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES PYM1, Q6ZSR9, O60361 ALDH1A1 1843/4885KMT2A 425/4885SMN1; SMN2 3448/4885

“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.