SCHEMBL25305409

SCHEMBL25305409

COC(=O)c1ncc(N2CCC2)nc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 2/20 0.37
JAK3 P52333 1/20 0.36
KDM4E B2RXH2 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 2/20 0.35
OPRK1 P41145 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL29483818 0.83 ALDH1A1 (0.44) POLBSMN1; SMN2CKS1BSKP1SKP2
SCHEMBL20163032 0.81 CKS1B (0.56) KMT2ASMN1; SMN2CKS1BSKP1SKP2
SCHEMBL23769310 0.79 KLKB1 (0.36) RAB9ANPSR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7454503 0.74 PDE10A (0.59) PDE10A
SCHEMBL22439849 0.73 NPSR1 (0.48) RAB9ANPSR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL15733310 0.72 ALDH1A1 (0.46) KMT2ANPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL25261545 0.72 PDE10A (0.38) POLBSMN1; SMN2CKS1BSKP1SKP2
SCHEMBL22890401 0.72 NPSR1 (0.44) KMT2ARAB9ANPSR1SMN1; SMN2MEN1
SCHEMBL30426752 0.71 KDM4E (0.40) KMT2ANPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL22439886 0.71 NPSR1 (0.47) KMT2ARAB9ANPSR1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4210694-B1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-10-15 EP disclosed
US-20230416227-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-12-28 US disclosed
EP-4210694-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2023-07-19 EP disclosed
WO-2022056051-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-03-17 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 (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-20230416227-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 KMT2A 1751/4885NPC1 1416/4885RAB9A 1956/4885

“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.