SCHEMBL30609653

SCHEMBL30609653

c1nc2cc(N3CCNCC3)ccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.46
HTR3E A5X5Y0 4/20 0.45
HTR3B O95264 4/20 0.45
HTR3A P46098 4/20 0.45
HTR3D Q70Z44 4/20 0.45
HTR3C Q8WXA8 4/20 0.45
SIGMAR1 Q99720 4/20 0.45
HTR5A P47898 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
MMP2 P08253 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
OGA O60502 1/20 0.43
HTR2C P28335 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRB2 P07550 1/20 0.42
NCF1 P14598 1/20 0.42

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
SCHEMBL15548204 1.00 ADRB1 (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8257694 0.88 CYP3A4 (0.48) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL38664668 0.88 CYP3A4 (0.48) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7961776 0.80 OGA (0.47) MMP2ADAMTS5OGACYP3A4CYP2C9
SCHEMBL27644544 0.79 DYRK2 (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL23075831 0.76 MMP2 (0.45) HTR3AMMP2ADAMTS5OGACYP3A4
Anisole SCHEMBL27515292 0.76 ADRB1 (0.54) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL21091414 0.75 GAA (0.57) OGATP53CYP3A4HTR1ACYP2C9
SCHEMBL5798538 0.75 PDE3B (0.46) MMP2ADAMTS5OGATP53CYP3A4
SCHEMBL11358375 0.73 MEN1 (0.65) ADRB1HTR3EHTR3BHTR3AHTR3D

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 ADRB1 3478/4885HTR3E 1217/4885HTR3B 1812/4885

“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.