SCHEMBL6717628

SCHEMBL6717628

COc1ccccc1COCCCOc1c(F)cc(I)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
REN P00797 10/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
IDO1 P14902 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6721507 0.87 SMN1; SMN2 (0.43) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6717134 0.86 L3MBTL1 (0.47) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6719674 0.79 L3MBTL1 (0.46) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6721777 0.79 MAPT (0.51) RENL3MBTL1IDO1MAPTHPGD
SCHEMBL6720004 0.77 L3MBTL1 (0.42) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6717436 0.76 MAPT (0.52) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6719951 0.76 L3MBTL1 (0.47) SMN1; SMN2RENL3MBTL1TDP1PARP14
SCHEMBL1941923 0.74 IDO1 (0.53) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL8193133 0.74 IDO1 (0.53) RENL3MBTL1IDO1
SCHEMBL5798261 0.74 IDO1 (0.53) HTR1AADRA1DADRA1AADRA1BIDO1

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 SMN1; SMN2 4700/4885HTR1A 3486/4885ADRA1D 223/4885

“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.