SCHEMBL21752301

SCHEMBL21752301

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](COCc2ccccc2)N(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
BDKRB2 P30411 2/20 0.37
NR1D1 P20393 1/20 0.37
ABHD6 Q9BV23 4/20 0.37
DAGLA Q9Y4D2 3/20 0.37
ABCB1 P08183 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 1/20 0.34
DPP4 P27487 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
SCHEMBL4303290 1.00 AGTR2 (0.39) AGTR2OPRM1OPRD1OPRK1BDKRB2
SCHEMBL4292542 0.90 ABCB1 (0.47) AGTR2OPRM1OPRD1OPRK1NR1D1
SCHEMBL30207112 0.90 ABCB1 (0.47) AGTR2OPRM1OPRD1OPRK1NR1D1
SCHEMBL4299042 0.84 ABHD6 (0.36) NR1D1ABHD6DAGLA
SCHEMBL13662023 0.84 TAAR1 (0.36) AGTR2TAAR1LMNA
SCHEMBL4297705 0.83 NPC1 (0.40) LMNA
SCHEMBL4292430 0.83 PPM1D (0.34)
SCHEMBL21272076 0.83 ABCB1 (0.50) OPRM1ABCB1LMNA
SCHEMBL21272093 0.83 ABCB1 (0.50) OPRM1ABCB1LMNA
SCHEMBL14348092 0.82 ABCB1 (0.42) AGTR2ABCB1

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-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
EP-3841086-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2021-06-30 EP disclosed
WO-2020041301-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-27 WO 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-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI AGTR2 239/4885OPRM1 4116/4885OPRD1 1192/4885

“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.