SCHEMBL6647835

SCHEMBL6647835

O=S(=O)(CC(CCc1ncccn1)NO)N1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.41
CYP3A4 P08684 2/20 0.39
MMP13 P45452 2/20 0.39
MMP7 P09237 1/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
DRD4 P21917 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MMP14 P50281 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL6644045 0.95 CYP3A4 (0.43) SLC6A7CYP3A4MMP13MMP7DRD2
SCHEMBL6806502 0.90 SLC6A7 (0.41) SLC6A7CYP3A4MMP13MMP7DRD2
SCHEMBL6673023 0.90 SLC6A7 (0.41) SLC6A7CYP3A4MMP13MMP7DRD2
SCHEMBL6648549 0.87 CYP3A4 (0.40) CYP3A4MMP13MMP7DRD2DRD3
SCHEMBL6646743 0.86 LMNA (0.45) CYP3A4MMP13MMP7KDM4EALDH1A1
SCHEMBL6807843 0.85 CYP3A4 (0.42) SLC6A7CYP3A4MMP13MMP7DRD2
SCHEMBL6811956 0.85 CYP3A4 (0.42) SLC6A7CYP3A4MMP13MMP7DRD2
SCHEMBL6644967 0.85 MMP7 (0.52) CYP3A4MMP13MMP7DRD2DRD3
SCHEMBL6646942 0.83 CYP3A4 (0.40) CYP3A4MMP13MMP7DRD2DRD3
SCHEMBL6806495 0.82 MMP7 (0.57) SLC6A7CYP3A4MMP13MMP7DRD2

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-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-09-16 US disclosed
EP-1417181-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 EP disclosed
WO-2003014092-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2003-02-20 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-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 SLC6A7 236/4885CYP3A4 288/4885MMP13 1/4885

“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.