SCHEMBL4667670

SCHEMBL4667670

CCNCc1ccc2c(c1)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
ALKBH5 Q6P6C2 1/20 0.51
FTO Q9C0B1 1/20 0.51
KMT2A Q03164 3/20 0.48
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
DPP7 Q9UHL4 2/20 0.48
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL12509821 0.89 ALDH1A1 (0.63) ALDH1A1KDM4ETSHRKMT2ADPP7
SCHEMBL11922718 0.86 DPP7 (0.51) ALDH1A1KDM4ETSHRALKBH5FTO
SCHEMBL11922990 0.83 TRPV1 (0.50) ALDH1A1KDM4ETSHRALKBH5FTO
SCHEMBL1253621 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRALKBH5FTO
SCHEMBL13632598 0.81 RAB9A (0.52) KDM1AMAOAMAOB
SCHEMBL27510406 0.81 DPP7 (0.55) ALDH1A1KDM4ETSHRALKBH5FTO
SCHEMBL22019337 0.81 ALKBH5 (0.40) ALDH1A1KDM4ETSHRALKBH5FTO
SCHEMBL8255914 0.79 TAAR1 (0.52) ALDH1A1GAA
SCHEMBL1040521 0.79 PKM (0.59) ALDH1A1ALKBH5FTOKMT2ADPP7
SCHEMBL21114838 0.79 KMT2A (0.47) ALDH1A1KDM4ETSHRALKBH5FTO

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 ALDH1A1 231/4885KDM4E 950/4885TSHR 3223/4885

“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.