SCHEMBL6975692

SCHEMBL6975692

O=C(O)N1C[C@H](O)C[C@H]1COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.46
NR1D1 P20393 1/20 0.43
POLB P06746 1/20 0.41
ABHD6 Q9BV23 4/20 0.40
DAGLA Q9Y4D2 3/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL22555190 1.00 AGTR2 (0.46) AGTR2NR1D1POLBABHD6DAGLA
SCHEMBL4297034 1.00 AGTR2 (0.46) AGTR2NR1D1POLBABHD6DAGLA
SCHEMBL4294638 0.88 AGTR2 (0.46) AGTR2NR1D1ABHD6DAGLACTSL
SCHEMBL6978115 0.88 AGTR2 (0.46) AGTR2NR1D1ABHD6DAGLACTSL
SCHEMBL28795618 0.84 POLB (0.43) AGTR2NR1D1POLBOPRM1OPRD1
SCHEMBL30207229 0.84 POLB (0.43) AGTR2NR1D1POLBOPRM1OPRD1
SCHEMBL8061462 0.84 POLB (0.43) AGTR2NR1D1POLBOPRM1OPRD1
SCHEMBL30181418 0.84 POLB (0.43) AGTR2NR1D1POLBOPRM1OPRD1
SCHEMBL22555092 0.82 AGTR2 (0.48) AGTR2NR1D1ABHD6DAGLACTSL
SCHEMBL13662029 0.81 TSHR (0.42) AGTR2NR1D1CTSLCTSBCTSK

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 6 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
US-6562964-B1 Inhibitors of rotamase enzymes in particular FKBP-12 and FKBP-52. The compounds therefore moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases or other disorders PFIZER INC 2003-05-13 US disclosed
EP-1100797-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LTD (GB) 2003-02-26 EP disclosed
US-6372736-B1 ENZYME INHIBITORS PFIZER INC 2002-04-16 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-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI AGTR2 239/4885NR1D1 237/4885POLB 3732/4885

“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.