SCHEMBL20970450

SCHEMBL20970450

CCC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 4/20 0.46
▸ MME P08473 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ CPA1 P15085 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ CTSL P07711 1/20 0.43
▸ CHRND Q07001 6/20 0.42
▸ OPRD1 P41143 4/20 0.42
▸ OPRM1 P35372 3/20 0.42
▸ CHRNA1 P02708 2/20 0.42
▸ CHRNG P07510 2/20 0.42
▸ CHRNB1 P11230 2/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRM1 Q13255 1/20 0.42
▸ OPRK1 P41145 1/20 0.42

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
SCHEMBL22857298 0.87 MMP8 (0.43) GRIA1MMEACECPA1ACE2
SCHEMBL16846635 0.86 GRIA1 (0.46) GRIA1MMEACECPA1ACE2
SCHEMBL18879461 0.85 GRIA1 (0.44) GRIA1MMEACECPA1ACE2
SCHEMBL10078064 0.76 ESR1 (0.53) MMEACECPA1ACE2FOLH1
SCHEMBL12869808 0.76 FOLH1 (0.61) MMEACECPA1ACE2FOLH1
SCHEMBL5738141 0.76 FOLH1 (0.61) MMEACECPA1ACE2FOLH1
SCHEMBL23306918 0.76 ACE (0.50) GRIA1MMEACECPA1ACE2
SCHEMBL12894465 0.75 ACE (0.52) MMEACECPA1ACE2FOLH1
SCHEMBL7601953 0.75 FOLH1 (0.49) MMEACECPA1ACE2FOLH1
SCHEMBL27250348 0.75 FOLH1 (0.49) MMEACECPA1ACE2FOLH1

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-20200224198-A1 COMPOSITIONS AND METHODS FOR MODULATING HBV EXPRESSION IONIS PHARMACEUTICALS, INC. (US) 2020-07-16 — — US disclosed
US-20190127737-A1 SINGLE-STRANDED RNAI OLIGONUCLEOTIDES TARGETING APOC-III IONIS PHARMACEUTICALS, INC. (US) 2019-05-02 — — 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 (2 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-20200224198-A1 COMPOSITIONS AND METHODS FOR MODULATING HBV EXPRESSION HAVCR2, HCCS, HDGF GRIA1 2989/4885MME 3457/4885ACE 3635/4885
US-20190127737-A1 SINGLE-STRANDED RNAI OLIGONUCLEOTIDES TARGETING APOC-III APOB, APOL1, RBM3 GRIA1 4650/4885MME 915/4885ACE 511/4885

“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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