SCHEMBL21177381

SCHEMBL21177381

CC(C)OC(=O)c1nnccc1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
CA12 O43570 6/20 0.39
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA7 P43166 6/20 0.39
CA9 Q16790 6/20 0.39
CA14 Q9ULX7 6/20 0.39
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.35
CYP4F2 P78329 1/20 0.34

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
SCHEMBL31358932 0.80 CA12 (0.44) NPSR1CA12CA1CA2CA7
SCHEMBL21177534 0.73 NPSR1 (0.44) NPSR1CA12CA1CA2CA7
SCHEMBL161461 0.70 CA12 (0.44) NPSR1CA12CA1CA2CA7
SCHEMBL6518977 0.70 CA12 (0.45) NPSR1CA12CA1CA2CA7
SCHEMBL31589851 0.69 NPSR1 (0.43) NPSR1CA1CA2ALDH1A1MAPT
SCHEMBL30187763 0.68 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL21179361 0.68 ALDH1A1 (0.32) IRAK4ALDH1A1MEN1KMT2AACHE
SCHEMBL30079550 0.68 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL2942817 0.66 IRAK4 (0.66) NPSR1CA12CA1CA2CA7
SCHEMBL27659257 0.66 HCAR2 (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685729-B2 C5a receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-06-27 US disclosed
US-20210122736-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD. (CH) 2021-04-29 US disclosed
EP-3740477-A1 C5A RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
CN-111683937-A C5a receptor modulators 爱杜西亚药品有限公司 2020-09-18 CN disclosed
WO-2019141808-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-07-25 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-20210122736-A1 C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 NPSR1 105/4885CA12 4471/4885CA1 4623/4885
US-11685729-B2 C5a receptor modulators C5AR1, C3AR1, C5AR2 NPSR1 105/4885CA12 4471/4885CA1 4623/4885

“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.