SCHEMBL4669111

SCHEMBL4669111

CCCCCCC1(CO)c2ccccc2Oc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
REN P00797 1/20 0.36
MAPT P10636 1/20 0.35
MMP3 P08254 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SCN9A Q15858 1/20 0.33
CYP1A1 P04798 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
GAA P10253 1/20 0.33
LIPG Q9Y5X9 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
SCHEMBL30083981 0.90 MMP2 (0.43) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL21437165 0.90 MMP2 (0.43) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL4669194 0.84 MMP2 (0.39) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL2969980 0.83 ELANE (0.40) KDM4EPKMMMP2MMP9MMP8
SCHEMBL27732354 0.82 MMP2 (0.42) KDM4EPKMMMP2MMP9MMP8
SCHEMBL4669417 0.81 MEN1 (0.42) KDM4EPKMKMT2AMEN1REN
SCHEMBL6973661 0.79 ALOX5 (0.39) KMT2AMEN1RENMAPTGAA
SCHEMBL29556345 0.79 ALOX5 (0.39) KMT2AMEN1RENMAPTGAA
SCHEMBL27732355 0.79 MMP2 (0.36) KDM4EMMP2MMP9MMP8MMP13
SCHEMBL14089115 0.79 MMP2 (0.35) KDM4EPKMMMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
CN-101171248-A 3-mono- and 3,5-disubstituted piperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2008-04-30 CN disclosed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 EP disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 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-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 KDM4E 950/4885PKM 1191/4885MMP2 130/4885

“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.