SCHEMBL6232018

SCHEMBL6232018

CC(=O)OCCN1CCCc2ccc(CN)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
CASP1 P29466 1/20 0.55
HTT P42858 1/20 0.55
CASP7 P55210 1/20 0.55
SMAD3 P84022 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RORC P51449 10/20 0.42
KLKB1 P03952 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39

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
SCHEMBL6717277 0.84 CHRM2 (0.56) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL11326320 0.80 ALDH1A1 (0.58) MEN1ALDH1A1GAAKMT2ACHRM2
SCHEMBL6234711 0.79 KMT2A (0.68) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL25804482 0.78 HSD17B10 (0.48) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL5779207 0.77 ALDH1A1 (0.52) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL6716483 0.77 KMT2A (0.52) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL6715255 0.76 CHRM2 (0.39) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL554421 0.74 KLKB1 (0.45) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL6713240 0.73 CHRM2 (0.39) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL6721739 0.72 CHRM2 (0.54) KDM4EMEN1ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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 (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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN KDM4E 1803/4885MEN1 4236/4885ALDH1A1 921/4885

“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.