SCHEMBL31097178

SCHEMBL31097178

O=C(O)[C@H]1[C@@H](C(=O)N2C3CCC2COC3)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.49
AGTR2 P50052 5/20 0.47
KLK7 P49862 2/20 0.46
KLK5 Q9Y337 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACE2 Q9BYF1 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL31097172 0.93 AGTR2 (0.51) PREPAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL9132544 0.83 NPC1 (0.54) PREPKLK7KLK5NPC1RAB9A
SCHEMBL27190405 0.83 SMN1; SMN2 (0.52) PREPNPC1RAB9ASMN1; SMN2ACE2
SCHEMBL29239602 0.83 SMN1; SMN2 (0.52) PREPNPC1RAB9ASMN1; SMN2ACE2
SCHEMBL27190317 0.83 SMN1; SMN2 (0.52) PREPNPC1RAB9ASMN1; SMN2ACE2
SCHEMBL31097140 0.79 PREP (0.48) PREPAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL10201272 0.78 PREP (0.53) PREPACE2
SCHEMBL27190401 0.78 PREP (0.53) PREPACE2
SCHEMBL31097167 0.78 SMN1; SMN2 (0.50) PREPAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL31097194 0.78 SMN1; SMN2 (0.50) PREPAGTR2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294498-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2024-09-05 US 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-20240294498-A1 FACTOR XIIA INHIBITORS F11, F13B, F7 PREP 182/4885AGTR2 1541/4885KLK7 154/4885

“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.