SCHEMBL18587701

SCHEMBL18587701

O=C(OC[C@@H]1C[C@@H](CO)N1C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.52
CHRNA5 P30532 2/20 0.52
CHRNA7 P36544 2/20 0.52
CHRNA4 P43681 2/20 0.52
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
CES2 O00748 1/20 0.42
DPP4 P27487 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
PPM1B O75688 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.40
FOLH1 Q04609 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
SCHEMBL18588003 1.00 CHRNB2 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL19615663 1.00 CHRNB2 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL18588004 1.00 CHRNB2 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL31603568 0.83 CHRNB2 (0.48) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL23629616 0.80 CHRNB2 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL25895867 0.77 CHRNB2 (0.63) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL30959853 0.77 CHRNB2 (0.63) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL25309011 0.76 KMT2A (0.51) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL25235927 0.75 CHRNB2 (0.53) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL8308864 0.75 SIGMAR1 (0.44) CHRNB2CHRNA7CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031676-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-01-31 US disclosed
EP-3341378-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2018-07-04 EP disclosed
WO-2017036968-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-03-09 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-20190031676-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES PYCR1, PSPH, RPSA CHRNB2 4824/4885CHRNA5 4875/4885CHRNA7 4877/4885

“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.