SCHEMBL23994600

SCHEMBL23994600

CC(C)[C@H]1C[C@@H]1c1cc2c(ccn2CC(F)(F)F)cn1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.35
▸ MAP3K5 Q99683 2/20 0.33
▸ OPRK1 P41145 1/20 0.31
▸ HTR2A P28223 2/20 0.30
▸ HTR2C P28335 2/20 0.30
▸ GRM2 Q14416 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL25004500 0.85 PDE10A (0.38) PDE10AMAP3K5EGFR
SCHEMBL23995228 0.82 PDE10A (0.44) PDE10AMAP3K5EGFR
SCHEMBL23994572 0.80 NT5E (0.34) HTR2AHTR2C
SCHEMBL23993628 0.80 NT5E (0.34) HTR2AHTR2C
SCHEMBL23994614 0.78 HTR3A (0.34) —
SCHEMBL23995229 0.77 PDE10A (0.32) PDE10A
SCHEMBL25005811 0.73 — —
SCHEMBL25004503 0.73 HTR3A (0.32) —
SCHEMBL23993484 0.70 MAP3K5 (0.36) MAP3K5
SCHEMBL23994584 0.70 HTR3A (0.35) —

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E PDE10A 484/4885MAP3K5 3994/4885OPRK1 2866/4885

“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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