SCHEMBL31480883

SCHEMBL31480883

CNCCN(C)C(=O)OCOP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 3/20 0.40
▸ ACHE P22303 2/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ F13A1 P00488 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TGM1 P22735 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ EGFR P00533 1/20 0.35

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
SCHEMBL31480731 0.85 CYP2D6 (0.42) HDAC1CYP2D6ALDH1A1MAPTHPGD
SCHEMBL31480765 0.85 HDAC1 (0.45) CETPACHEHDAC1TSHRALDH1A1
SCHEMBL31480773 0.84 IDO1 (0.44) HDAC1MAPTMAPK1
SCHEMBL31480820 0.83 CCR6 (0.41) CETPTSHRALDH1A1MAPTHPGD
SCHEMBL7368731 0.83 CCR6 (0.50) ACHEHDAC1ALDH1A1MAPTHPGD
SCHEMBL31480704 0.82 L3MBTL1 (0.42) CETPHDAC1TSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL23388381 0.82 CCR6 (0.49) ACHEHDAC1ALDH1A1MAPTHPGD
SCHEMBL31480877 0.77 HDAC1 (0.37) CETPHDAC1TSHRALDH1A1MAPT
SCHEMBL25787610 0.76 F13A1 (0.41) HDAC1TSHRALDH1A1MAPTHPGD
SCHEMBL30781926 0.76 ATM (0.46) ACHE

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
WO-2025080879-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-04-17 — — WO disclosed
US-20250120989-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2025-04-17 — — 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-20250120989-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD CETP 367/4885ACHE 464/4885HDAC1 371/4885

“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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