SCHEMBL1706858

SCHEMBL1706858

CN(C(Cc1ccc(O)cc1)C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.42
▸ ESR2 Q92731 4/20 0.42
▸ SLC7A5 Q01650 1/20 0.40
▸ TAAR1 Q96RJ0 3/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ OPRK1 P41145 3/20 0.39
▸ OPRM1 P35372 3/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ BLM P54132 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MIF P14174 1/20 0.37
▸ ESRRG P62508 1/20 0.37

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
SCHEMBL20849763 0.86 RIPK1 (0.42) OPRK1OPRM1OPRD1GAA
SCHEMBL20849755 0.86 MAPT (0.46) SLC7A5OPRK1OPRM1OPRD1MAPT
SCHEMBL20849762 0.86 MAPT (0.46) SLC7A5OPRK1OPRM1OPRD1MAPT
SCHEMBL26897330 0.84 ALDH1A1 (0.51) TAAR1GAAMAPT
SCHEMBL1707342 0.80 MAOB (0.55) —
SCHEMBL21288046 0.76 ESR1 (0.38) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL1704939 0.73 ESR1 (0.46) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL16501755 0.73 SLC7A5 (0.62) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL13301968 0.73 SLC7A5 (0.62) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL14664156 0.73 MME (0.44) OPRM1OPRD1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 — — US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 — — US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 — — US disclosed
US-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 — — US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 — — 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 (3 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-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO ESR1 3597/4885ESR2 862/4885SLC7A5 3736/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO ESR1 3597/4885ESR2 862/4885SLC7A5 3736/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO ESR1 3597/4885ESR2 862/4885SLC7A5 3736/4885

“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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