SCHEMBL6702380

SCHEMBL6702380

CCC(C)C[C@H]1[C@H](N(C)C(=O)OCc2ccccc2)C[C@H](C(=O)OC(C)(C)C)N1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.43
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ GPBAR1 Q8TDU6 4/20 0.35
▸ CTSL P07711 2/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CCR5 P51681 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34

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
SCHEMBL7684379 0.89 SIGMAR1 (0.41) SIGMAR1KMT2AL3MBTL1SYKGPBAR1
SCHEMBL6697720 0.89 SIGMAR1 (0.41) SIGMAR1KMT2AL3MBTL1SYKGPBAR1
SCHEMBL6697681 0.89 SIGMAR1 (0.41) SIGMAR1KMT2AL3MBTL1SYKGPBAR1
SCHEMBL6697249 0.86 SIGMAR1 (0.39) SIGMAR1KMT2AL3MBTL1SYKCTSL
SCHEMBL6697678 0.83 SIGMAR1 (0.43) SIGMAR1KMT2AL3MBTL1SYKCTSL
SCHEMBL6702372 0.82 SIGMAR1 (0.43) SIGMAR1KMT2AL3MBTL1SYKCTSL
SCHEMBL6697716 0.81 SIGMAR1 (0.42) SIGMAR1KMT2AL3MBTL1CTSLCTSB
SCHEMBL7684372 0.81 SIGMAR1 (0.42) SIGMAR1KMT2AL3MBTL1CTSLCTSB
SCHEMBL6697877 0.81 SIGMAR1 (0.46) SIGMAR1KMT2AL3MBTL1CTSLCHRM5
SCHEMBL6695382 0.80 SIGMAR1 (0.45) SIGMAR1KMT2AL3MBTL1GPBAR1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097471-A1 Inhibitors of neuraminidases ABBVIE INC. 2004-05-20 — — 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-20040097471-A1 Inhibitors of neuraminidases NEU1, NEU2, NEU4 SIGMAR1 3896/4885KMT2A 3372/4885L3MBTL1 3963/4885

“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.

Send feedback