SCHEMBL30717628

SCHEMBL30717628

O=C(CC1CCCC1)N1CCc2nc(C3CCNCC3)sc2C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.46
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMYD3 Q9H7B4 1/20 0.34
UCHL1 P09936 2/20 0.33
MAPK14 Q16539 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PARK7 Q99497 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL31748855 0.83 ADORA2A (0.47) GRM5ADORA2AADORA1NPC1RAB9A
SCHEMBL31748885 0.81 GRM5 (0.42) GRM5ADORA2AADORA1NPC1RAB9A
SCHEMBL30717671 0.80 GRM5 (0.52) GRM5ADORA2AADORA1NPC1RAB9A
SCHEMBL30717375 0.77 GRM5 (0.42) GRM5ADORA2AADORA1NPC1RAB9A
SCHEMBL30717409 0.77 GRM5 (0.42) GRM5ADORA2AADORA1NPC1RAB9A
SCHEMBL30717359 0.77 GRM5 (0.45) GRM5ADORA2AADORA1NPC1RAB9A
SCHEMBL30717555 0.76 GRM5 (0.44) GRM5ADORA2AADORA1NPC1RAB9A
SCHEMBL30717403 0.76 GRM5 (0.44) GRM5ADORA2AADORA1NPC1RAB9A
SCHEMBL30790956 0.75 ADORA2A (0.44) GRM5ADORA2AADORA1SMYD3ALDH1A1
SCHEMBL30717397 0.75 ADORA2A (0.42) GRM5ADORA2AADORA1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRM5 2029/4885ADORA2A 67/4885ADORA1 113/4885

“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.