SCHEMBL29580656

SCHEMBL29580656

Cc1cc(C(=O)CCC2CC2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PROKR1 Q8TCW9 3/20 0.42
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
ACHE P22303 12/20 0.39
BCHE P06276 8/20 0.39
JMJD6 Q6NYC1 1/20 0.39
HTR4 Q13639 1/20 0.37

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
SCHEMBL17064700 1.00 MEN1 (0.44) MEN1NPC1TP53TSHRRAB9A
SCHEMBL18631570 0.82 PROKR1 (0.38) MEN1NPC1TP53TSHRRAB9A
SCHEMBL17065065 0.77 MAPT (0.51) KMT2AACHEBCHE
SCHEMBL11662610 0.76 JMJD6 (0.63) PROKR1JMJD6HTR4
SCHEMBL362870 0.75 UHRF1 (0.43) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL11622768 0.75 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2PROKR1
SCHEMBL29740179 0.74 GSK3B (0.50) PROKR1
SCHEMBL1884527 0.74 GSK3B (0.50) PROKR1
SCHEMBL12672263 0.74 UHRF1 (0.42) KMT2APROKR1
SCHEMBL29740180 0.74 GSK3B (0.50) PROKR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663636-A2 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2025-12-17 EP disclosed
CN-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 CN disclosed
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
CN-114591212-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-06-07 CN disclosed
CN-108289893-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-04-12 CN disclosed