SCHEMBL4669068

SCHEMBL4669068

CCN(CC1CCOCC1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
CNR2 P34972 6/20 0.33
CNR1 P21554 3/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CA14 Q9ULX7 1/20 0.32
EZH2 Q15910 2/20 0.32
MAOA P21397 1/20 0.32
EZH1 Q92800 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL24890720 0.89 CNR2 (0.36) CNR2NFKB1NFKB2RELACA14
SCHEMBL4780561 0.84 ALOX5 (0.39) CTSSNFKB1NFKB2RELACA14
SCHEMBL7505005 0.82 CHRM1 (0.35) CNR2NFKB1NFKB2RELACA14
SCHEMBL227128 0.81 CTSD (0.39) CTSDCTSLCTSBCTSSUSP2
SCHEMBL17969814 0.80 NAMPT (0.31) CTSDCTSLCTSBCTSS
SCHEMBL7332327 0.80 CTSD (0.36) CTSDCTSLCTSBCTSSUSP2
SCHEMBL22733859 0.80 CTSD (0.35) CTSDCTSLCTSBCTSSUSP2
SCHEMBL4915454 0.78 KMT2A (0.41) POLBALDH1A1KMT2A
SCHEMBL4915463 0.78 KMT2A (0.41) POLBALDH1A1KMT2A
SCHEMBL24608436 0.78 ALDH1A1 (0.38) CNR2NFKB1NFKB2RELACA14

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 5 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
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

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 CTSD 113/4885CTSL 327/4885CTSB 591/4885

“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.