SCHEMBL31087758

SCHEMBL31087758

O=C(O)C1(C(=O)O)CCCCCNNN1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL31087757 0.92 CYP2C19 (0.30) CYP2C19
SCHEMBL7344994 0.79 CYP2C19 (0.32) CYP2C19
SCHEMBL29973085 0.73 CYP2C19 (0.42) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL3934353 0.72 ARG1 (0.34) CYP2C19
SCHEMBL28643393 0.71 CYP2C19 (0.32) CYP2C19
SCHEMBL8371988 0.69 FFAR3 (0.31)
SCHEMBL8993303 0.69 FFAR3 (0.31)
Acetic Acid SCHEMBL1528008 0.66 FFAR3 (0.39)
Acetic Acid SCHEMBL3991283 0.66 FFAR3 (0.39)
Acetic Acid SCHEMBL1566799 0.66 FFAR3 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327458-A1 MACROCYCLIC PEPTIDOMIMETIC PROTEASE INHIBITOR AND USE THEREOF TENCENT TECHNOLOGY (SHENZHEN) COMPANY LIMITED (CN) 2024-10-03 US disclosed
EP-4406962-A1 MACROCYCLIC PEPTIDOMIMETIC PROTEASE INHIBITOR AND USE THEREOF Tencent Technology (Shenzhen) Company Limited (CN) 2024-07-31 EP 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-20240327458-A1 MACROCYCLIC PEPTIDOMIMETIC PROTEASE INHIBITOR AND USE THEREOF ACE, FURIN, ACE2 CYP2C19 266/4885USP2 826/4885ALDH1A1 4138/4885

“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.