SCHEMBL30717412

SCHEMBL30717412

CC1(C)CN(C(=O)CC2CCCC2)Cc2sc(N3CCNCC3)nc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
SMYD3 Q9H7B4 3/20 0.33
BAZ2A Q9UIF9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
GRM5 P41594 1/20 0.31
CNR2 P34972 1/20 0.30
ACKR3 P25106 1/20 0.30

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
SCHEMBL30717329 0.91 SMYD3 (0.33) CTSBCTSKSMYD3GRM5
SCHEMBL30717543 0.83 ADORA2A (0.32) ADORA2AADORA1OPRM1OPRL1
SCHEMBL30717393 0.80 CTSB (0.34) CTSBCTSKGRM5
SCHEMBL31748855 0.79 ADORA2A (0.47) ADORA2AADORA1CTSBCTSKBAZ2A
SCHEMBL30717387 0.79 BACE1 (0.31) OPRM1OPRL1
SCHEMBL30717340 0.74
SCHEMBL30717520 0.72
SCHEMBL30717338 0.71 ADORA2A (0.32) ADORA2AADORA1OPRM1OPRL1
SCHEMBL30717503 0.71 ADORA2A (0.32) ADORA2AADORA1GRM5
SCHEMBL30717477 0.71

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-4572762-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2025-06-25 EP claimed
WO-2024038128-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2024-02-22 WO claimed
US-20250388604-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2025-12-25 US disclosed
EP-4572762-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2025-06-25 EP disclosed
WO-2024038128-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2024-02-22 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-20250388604-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE7A, PDE4B ADORA2A 67/4885ADORA1 113/4885CTSB 4243/4885

“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.