SCHEMBL6673023

SCHEMBL6673023

O=C(O)NC(CCc1ncccn1)CS(=O)(=O)N1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.41
GRM5 P41594 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 2/20 0.38
MMP13 P45452 2/20 0.38
MMP7 P09237 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACACB O00763 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MMP14 P50281 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
SCHEMBL6806502 1.00 SLC6A7 (0.41) SLC6A7GRM5LMNAPOLBCYP3A4
SCHEMBL6811956 0.95 CYP3A4 (0.42) SLC6A7GRM5LMNAPOLBCYP3A4
SCHEMBL6807843 0.95 CYP3A4 (0.42) SLC6A7GRM5LMNAPOLBCYP3A4
SCHEMBL6647835 0.90 SLC6A7 (0.41) SLC6A7LMNAPOLBCYP3A4MMP13
SCHEMBL6800839 0.88 CYP3A4 (0.38) SLC6A7LMNAPOLBCYP3A4MMP13
SCHEMBL6808747 0.86 SLC6A7 (0.38) SLC6A7GRM5CYP3A4MMP13MMP7
SCHEMBL6648316 0.85 CYP3A4 (0.50) LMNAPOLBCYP3A4MMP13MMP7
SCHEMBL6703173 0.85 CYP3A4 (0.40) CYP3A4MMP13MMP7KDM4EALDH1A1
SCHEMBL6644045 0.85 CYP3A4 (0.43) SLC6A7CYP3A4MMP13MMP7KDM4E
SCHEMBL6646067 0.84 CYP3A4 (0.39) CYP3A4MMP13MMP7KDM4EALDH1A1

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 4 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 claimed
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 236/4885GRM5 950/4885LMNA 3353/4885

“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.