SCHEMBL5916509

SCHEMBL5916509

O=S(=O)(C=CCCCc1ncccn1)N1CCN(c2ccc(C#Cc3ccc(F)cc3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ CHRM1 P11229 1/20 0.38
▸ GRM5 P41594 7/20 0.37
▸ DRD2 P14416 4/20 0.36
▸ DRD3 P35462 4/20 0.36
▸ HTR1A P08908 3/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ HTR7 P34969 3/20 0.36
▸ DRD1 P21728 2/20 0.36
▸ DRD5 P21918 2/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 2/20 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
SCHEMBL5916508 1.00 CYP3A4 (0.40) CYP3A4MMP13LMNAKDM4EMMP7
SCHEMBL6645919 0.87 MMP7 (0.40) CYP3A4MMP13KDM4EMMP7USP2
SCHEMBL5916453 0.87 MMP7 (0.42) CYP3A4MMP13LMNAKDM4EMMP7
SCHEMBL5916458 0.87 MMP7 (0.42) CYP3A4MMP13LMNAKDM4EMMP7
SCHEMBL5916456 0.87 MMP7 (0.42) CYP3A4MMP13LMNAKDM4EMMP7
SCHEMBL6647638 0.86 MMP7 (0.38) CYP3A4MMP13KDM4EMMP7CHRM1
SCHEMBL5916526 0.85 CYP3A4 (0.50) CYP3A4MMP13KDM4EMMP7
SCHEMBL5916557 0.85 CYP3A4 (0.50) CYP3A4MMP13KDM4EMMP7
SCHEMBL5916529 0.85 CYP3A4 (0.50) CYP3A4MMP13KDM4EMMP7
SCHEMBL5916423 0.82 MMP7 (0.44) CYP3A4MMP13LMNAKDM4EMMP7

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-7153857-B2 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2006-12-26 — — US disclosed
US-20060229313-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2006-10-12 — — US disclosed
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-11-04 — — 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 (2 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-20060229313-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 CYP3A4 264/4885MMP13 1/4885LMNA 3270/4885
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 CYP3A4 277/4885MMP13 1/4885LMNA 2980/4885

“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.

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