SCHEMBL591600

SCHEMBL591600

NCCC1CN(c2ccc3c(c2)OCCO3)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.46
GRK2 P25098 1/20 0.46
KMT2A Q03164 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
F10 P00742 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CALML3 P27482 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL591482 0.91 GRM2 (0.52) GRM2
SCHEMBL590024 0.90 F10 (0.56) GRM2GRK2KMT2ACTDSP1SIGMAR1
SCHEMBL591678 0.90 F10 (0.56) GRM2GRK2KMT2ACTDSP1SIGMAR1
SCHEMBL590026 0.90 F10 (0.56) GRM2GRK2KMT2ACTDSP1SIGMAR1
SCHEMBL1712582 0.87 GRK2 (0.49) GRM2GRK2KMT2ACTDSP1SIGMAR1
SCHEMBL2294706 0.87 GRK2 (0.49) GRM2GRK2KMT2ACTDSP1SIGMAR1
SCHEMBL592102 0.85 GRK2 (0.44) GRM2GRK2KMT2ACTDSP1SIGMAR1
SCHEMBL591658 0.85 GRM2 (0.49) GRM2GRK2KMT2ACTDSP1SIGMAR1
SCHEMBL591159 0.84 MAOA (0.59) GRK2KMT2ACTDSP1SIGMAR1CALML3
SCHEMBL591161 0.84 MAOA (0.59) GRK2KMT2ACTDSP1SIGMAR1CALML3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US disclosed
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 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 (1 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY GRM2 4516/4885GRK2 3830/4885KMT2A 3898/4885

“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.