SCHEMBL6232816

SCHEMBL6232816

[CH2]CCOCc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
ALDH1A1 P00352 3/20 0.43
MAOB P27338 5/20 0.42
TAAR1 Q96RJ0 3/20 0.42
CHRM3 P20309 1/20 0.41
MCL1 Q07820 1/20 0.40
PARP15 Q460N3 2/20 0.39
PARP10 Q53GL7 2/20 0.39
PARP14 Q460N5 1/20 0.39
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6867167 0.85 IDO1 (0.37) IDO1ALDH1A1MAOBTAAR1CHRM3
SCHEMBL3156632 0.83 IDO1 (0.57) IDO1ALDH1A1MAOBTAAR1MCL1
SCHEMBL2714973 0.83 IDO1 (0.67) IDO1ALDH1A1MAOBTAAR1MCL1
SCHEMBL31065556 0.83 IDO1 (0.67) IDO1ALDH1A1MAOBTAAR1MCL1
SCHEMBL2090266 0.82 TAAR1 (0.50) IDO1ALDH1A1MAOBTAAR1PARP15
SCHEMBL10458290 0.82 IDO1 (0.55) IDO1ALDH1A1MAOBTAAR1CHRM3
SCHEMBL8744312 0.80 IDO1 (0.53) IDO1ALDH1A1MAOBTAAR1CHRM3
SCHEMBL10847719 0.80 IDO1 (0.53) IDO1ALDH1A1MAOBTAAR1CHRM3
SCHEMBL1984467 0.80 IDO1 (0.53) IDO1ALDH1A1MAOBTAAR1CHRM3
SCHEMBL8744311 0.78 IDO1 (0.68) IDO1ALDH1A1MAOBTAAR1CHRM3

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 4 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-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 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 (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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN IDO1 4079/4885ALDH1A1 921/4885MAOB 1068/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 IDO1 4197/4885ALDH1A1 1486/4885MAOB 1559/4885

“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.