SCHEMBL30609652

SCHEMBL30609652

C[C@H]1CNCCN1c1cc(Cl)ccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.47
HTR2A P28223 4/20 0.43
MMP2 P08253 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
HTR2B P41595 3/20 0.42
GSK3B P49841 4/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
LATS1 O95835 1/20 0.40
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
MET P08581 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL17884819 1.00 HTR2C (0.47) HTR2CHTR2AMMP2ADAMTS5HTR2B
SCHEMBL24454076 0.84 PIM1 (0.43) HTR2CHTR2AHTR2BGSK3BROCK2
SCHEMBL24454244 0.84 PIM1 (0.43) HTR2CHTR2AHTR2BGSK3BROCK2
SCHEMBL21098921 0.81 HTR2C (0.44) HTR2CHTR2AHTR2BGSK3BROCK2
SCHEMBL21098920 0.81 HTR2C (0.44) HTR2CHTR2AHTR2BGSK3BROCK2
SCHEMBL17884953 0.80 HTR2C (0.46) HTR2CHTR2AHTR2BGSK3BROCK2
SCHEMBL30609691 0.80 HTR2C (0.46) HTR2CHTR2AHTR2BGSK3BROCK2
SCHEMBL23777597 0.78 MGLL (0.38) MMP2ADAMTS5ROCK1
SCHEMBL23777599 0.78 MGLL (0.38) MMP2ADAMTS5ROCK1
SCHEMBL21262364 0.78 HTR2C (0.46) HTR2CHTR2AHTR2BGSK3BLATS1

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 HTR2C 2380/4885HTR2A 2074/4885MMP2 53/4885

“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.