SCHEMBL31097196

SCHEMBL31097196

CCO[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)[C@H]2C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PREP P48147 4/20 0.46
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
ACE2 Q9BYF1 1/20 0.43
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41

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
SCHEMBL31097191 0.90 PREP (0.49) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL31097167 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL31097194 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL27190405 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL29239602 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL27190317 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL31097140 0.82 PREP (0.48) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL29580866 0.81 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AL3MBTL1CYP2C19
SCHEMBL9132544 0.80 NPC1 (0.54) SMN1; SMN2NPC1RAB9APREPTSHR
SCHEMBL31097159 0.80 PREP (0.48) SMN1; SMN2NPC1RAB9APREPACE2

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.