SCHEMBL30609705

SCHEMBL30609705

Cc1cncc(N2CCNC[C@@H]2C)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.54
CHRNB4 P30926 7/20 0.54
CHRNA3 P32297 7/20 0.54
CHRNA4 P43681 7/20 0.54
RAD52 P43351 1/20 0.43
LATS1 O95835 1/20 0.42
PIM1 P11309 2/20 0.41
PIM3 Q86V86 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
ADAMTS5 Q9UNA0 2/20 0.41
MMP2 P08253 1/20 0.41
GSK3B P49841 4/20 0.40
MMP14 P50281 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL17884782 1.00 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4RAD52
SCHEMBL17884677 0.84 ADAMTS5 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4RAD52
SCHEMBL17884838 0.84 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4LATS1
SCHEMBL30609634 0.84 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4LATS1
SCHEMBL30609715 0.84 ADAMTS5 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4RAD52
SCHEMBL27985661 0.82 RAD52 (0.47) RAD52LATS1GSK3BROCK2ROCK1
SCHEMBL27985663 0.82 RAD52 (0.47) RAD52LATS1GSK3BROCK2ROCK1
SCHEMBL17884776 0.81 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4RAD52
SCHEMBL21098421 0.81 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4LATS1
SCHEMBL21098418 0.81 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4LATS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis GALAPAGOS NV (BE) 2023-08-08 US 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-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis ADAMTS1, ADAMTS5, ADAMTS7 CHRNB2 4643/4885CHRNB4 4801/4885CHRNA3 4410/4885

“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.