SCHEMBL14200040

SCHEMBL14200040

C[C@H](Cc1ccc(O)cc1)N(CC(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ ESR1 P03372 5/20 0.40
▸ ESR2 Q92731 4/20 0.40
▸ SLC7A5 Q01650 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ OPRK1 P41145 4/20 0.38
▸ OPRM1 P35372 4/20 0.37
▸ OPRD1 P41143 3/20 0.37
▸ BLM P54132 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FOLH1 Q04609 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
SCHEMBL13992412 0.87 SLC6A2 (0.42) TAAR1SLC6A2OPRK1
SCHEMBL13992420 0.74 — —
SCHEMBL14200043 0.74 — —
SCHEMBL21288046 0.70 ESR1 (0.38) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL13992416 0.70 ESRRG (0.46) ESR1ESR2MAPK1OPRK1OPRM1
SCHEMBL17931630 0.69 MAOB (0.66) SLC6A2SLC7A5OPRK1
SCHEMBL16552343 0.69 MAOB (0.48) TAAR1
SCHEMBL13619489 0.68 — —
SCHEMBL6539282 0.68 SLC7A5 (0.49) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL8980228 0.68 CA2 (0.56) ESR1ESR2MAPK1BLM

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-20080089938-A9 Compositions and methods for polynucleotide delivery ZUCKERMANN RONALD N 2008-04-17 — — 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-20080089938-A9 Compositions and methods for polynucleotide delivery POLN, RNASE1, NCL TAAR1 3767/4885SLC6A2 970/4885ESR1 4609/4885

“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.

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