SCHEMBL31097167

SCHEMBL31097167

O=C(O)[C@H]1[C@@H](C(=O)N2CC[C@@H](F)C2)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PREP P48147 4/20 0.48
CYP2C19 P33261 1/20 0.46
DPP4 P27487 2/20 0.44
KCNH2 Q12809 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
ACE2 Q9BYF1 2/20 0.44
AGTR2 P50052 1/20 0.43
CTRB1 P17538 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
SCHEMBL31097194 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL31097140 0.95 PREP (0.48) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL27190317 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL27190405 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL29239602 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL31097191 0.87 PREP (0.49) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL31097196 0.85 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL4937763 0.85 PREP (0.62) SMN1; SMN2NPC1RAB9APREPCTRB1
SCHEMBL9132544 0.84 NPC1 (0.54) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL31097183 0.83 DPP4 (0.47) SMN1; SMN2NPC1RAB9APREPCYP2C19

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 SMN1; SMN2 4362/4885NPC1 3933/4885RAB9A 2666/4885

“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.