SCHEMBL5916487

SCHEMBL5916487

CS(=O)(=O)N1CCN(c2ccc(C#Cc3ccc(C(F)(F)F)cn3)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.52
▸ GPR119 Q8TDV5 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CXCR3 P49682 5/20 0.48
▸ PKM P14618 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ F13A1 P00488 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ TGM1 P22735 1/20 0.44

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
SCHEMBL941442 0.86 GAA (0.68) GAAKDM4EGPR119L3MBTL1CXCR3
SCHEMBL2155799 0.82 KDM4E (0.74) GAAKDM4EGPR119L3MBTL1CXCR3
SCHEMBL14760340 0.82 LMNA (0.54) KDM4EL3MBTL1PKMMAPTSMN1; SMN2
SCHEMBL5916469 0.80 HSD17B10 (0.50) KDM4EMAPTHPGDALDH1A1CYP1A2
SCHEMBL6809004 0.80 GAA (0.60) GAAKDM4EGPR119L3MBTL1CXCR3
SCHEMBL5916445 0.79 SMN1; SMN2 (0.59) KDM4EL3MBTL1MAPTSMN1; SMN2HPGD
SCHEMBL4754464 0.78 KDM4E (0.67) GAAKDM4EGPR119L3MBTL1CXCR3
SCHEMBL5916529 0.77 CYP3A4 (0.50) GAAKDM4EGPR119L3MBTL1CXCR3
SCHEMBL5916526 0.77 CYP3A4 (0.50) GAAKDM4EGPR119L3MBTL1CXCR3
SCHEMBL5916557 0.77 CYP3A4 (0.50) GAAKDM4EGPR119L3MBTL1CXCR3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 — — EP claimed
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
EP-1417201-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 — — EP disclosed
WO-2003014111-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 (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 GAA 526/4885KDM4E 2014/4885GPR119 776/4885
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 GAA 601/4885KDM4E 1957/4885GPR119 1049/4885

“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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