SCHEMBL5473979

SCHEMBL5473979

COc1ccc(C(=O)N2CCCC(C(=O)c3ccc(F)c(F)c3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
GRM3 Q14832 1/20 0.60
RXFP1 Q9HBX9 2/20 0.59
KLK7 P49862 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 3/20 0.57
GAA P10253 1/20 0.57
HSD11B1 P28845 1/20 0.57
KDM4E B2RXH2 3/20 0.56
POLB P06746 2/20 0.56
HPGD P15428 1/20 0.56
HIF1A Q16665 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
RCE1 Q9Y256 1/20 0.56

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
SCHEMBL5473981 1.00 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2GRM3RXFP1KLK7
SCHEMBL21926587 0.96 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2GRM3RXFP1KLK7
SCHEMBL21926385 0.88 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2GRM3RXFP1KLK7
SCHEMBL5475163 0.88 HPGD (0.67) ALDH1A1SMN1; SMN2L3MBTL1LMNAKDM4E
SCHEMBL5473312 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RXFP1KLK7L3MBTL1
SCHEMBL5475155 0.88 HPGD (0.67) ALDH1A1SMN1; SMN2L3MBTL1LMNAKDM4E
SCHEMBL5473320 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RXFP1KLK7L3MBTL1
SCHEMBL21926998 0.87 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2GRM3LMNAGAA
SCHEMBL5470399 0.87 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2GRM3LMNAGAA
SCHEMBL5470401 0.87 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2GRM3LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112000-A1 Chemical compounds ASTRAZENECA R&D ALDERLEY (GB) 2007-05-17 US claimed
EP-1684757-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME AstraZeneca AB (SE) 2006-08-02 EP claimed
WO-2005046685-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2005-05-26 WO claimed

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-20070112000-A1 Chemical compounds HSD11B1, CYP11B1, HSD11B2 ALDH1A1 68/4885SMN1; SMN2 4541/4885GRM3 3149/4885

“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.