SCHEMBL6808747

SCHEMBL6808747

O=C(O)NC(CCc1ncc(F)cn1)CS(=O)(=O)N1CCN(c2ncc(-c3ccccn3)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
GRM5 P41594 2/20 0.35
CYP3A4 P08684 1/20 0.34
MMP13 P45452 1/20 0.34
CYP2D6 P10635 1/20 0.34
CTSS P25774 2/20 0.34
MMP7 P09237 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APLNR P35414 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TRPV4 Q9HBA0 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
SCHEMBL6673023 0.86 SLC6A7 (0.41) SLC6A7SIGMAR1GRM5CYP3A4MMP13
SCHEMBL6806502 0.86 SLC6A7 (0.41) SLC6A7SIGMAR1GRM5CYP3A4MMP13
SCHEMBL6671884 0.85 SLC6A7 (0.43) SLC6A7CTSSSMN1; SMN2KDM4EALDH1A1
SCHEMBL6800839 0.85 CYP3A4 (0.38) SLC6A7CYP3A4MMP13CTSSMMP7
SCHEMBL6811956 0.82 CYP3A4 (0.42) SLC6A7SIGMAR1GRM5CYP3A4MMP13
SCHEMBL6807843 0.82 CYP3A4 (0.42) SLC6A7SIGMAR1GRM5CYP3A4MMP13
SCHEMBL6808740 0.81 MMP7 (0.53) SLC6A7SIGMAR1CYP3A4MMP13CYP2D6
SCHEMBL6811144 0.81 CYP3A4 (0.35) SLC6A7SIGMAR1CYP3A4MMP13CYP2D6
SCHEMBL6671345 0.80 MMP7 (0.51) SLC6A7CYP3A4MMP13CTSSMMP7
SCHEMBL6647516 0.79 MMP7 (0.44) SLC6A7CYP3A4MMP13CTSSMMP7

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-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-09-16 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-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 SLC6A7 236/4885SIGMAR1 1197/4885GRM5 950/4885

“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.