SCHEMBL6720002

SCHEMBL6720002

CCC(OCc1ccccc1OC)Oc1ccc(I)cc1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
APP P05067 1/20 0.36
ANO1 Q5XXA6 2/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCB1 P08183 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNA5 P22460 1/20 0.33
ANO2 Q9NQ90 1/20 0.33
CNR2 P34972 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL6719670 0.90 IDO1 (0.41) IDO1APPALDH1A1KDM4EL3MBTL1
SCHEMBL6717128 0.87 SLC6A4 (0.42) IDO1APPALDH1A1L3MBTL1ABCB1
SCHEMBL6721585 0.87 IDO1 (0.38) IDO1APPALDH1A1KDM4EL3MBTL1
SCHEMBL6728445 0.83 KDM4E (0.41) IDO1GAAALDH1A1KDM4E
SCHEMBL6721773 0.82 IDO1 (0.43) IDO1APPGAAALDH1A1L3MBTL1
SCHEMBL6717622 0.78 IDO1 (0.39) IDO1APPALDH1A1KDM4EL3MBTL1
SCHEMBL13584342 0.75 MCHR1 (0.38)
SCHEMBL6720004 0.72 L3MBTL1 (0.42) IDO1APPANO1KDM4EL3MBTL1
SCHEMBL3539341 0.68 ACHE (0.44) APPALDH1A1KDM4E
SCHEMBL17366270 0.68 MCHR1 (0.39) ALDH1A1

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
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

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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 IDO1 4197/4885APP 1385/4885ANO1 4106/4885

“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.