SCHEMBL2025967

SCHEMBL2025967

CC(C)COC(=O)N[C@H]1Cc2c(n(Cc3cccc(F)n3)c3ccc(C#N)cc23)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ TNF P01375 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ SCARB1 Q8WTV0 2/20 0.32
▸ DRD2 P14416 3/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ PDE4D Q08499 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ CHRM4 P08173 1/20 0.30
▸ HTR1A P08908 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
SCHEMBL12579044 1.00 PTGDR2 (0.33) PTGDR2HRH1HTR6CACNA1FCACNA1D
SCHEMBL2025356 1.00 PTGDR2 (0.33) PTGDR2HRH1HTR6CACNA1FCACNA1D
SCHEMBL2026354 1.00 PTGDR2 (0.33) PTGDR2HRH1HTR6CACNA1FCACNA1D
SCHEMBL2024659 0.92 SCARB1 (0.34) PTGDR2HRH1HTR6RORCSCARB1
SCHEMBL12579036 0.92 SCARB1 (0.34) PTGDR2HRH1HTR6RORCSCARB1
SCHEMBL16493666 0.91 HRH1 (0.34) PTGDR2HRH1HTR6TNFIRAK4
SCHEMBL2029678 0.91 HRH1 (0.34) PTGDR2HRH1HTR6TNFIRAK4
SCHEMBL12579034 0.91 HRH1 (0.34) PTGDR2HRH1HTR6TNFIRAK4
SCHEMBL16493792 0.91 HRH1 (0.34) PTGDR2HRH1HTR6TNFIRAK4
SCHEMBL12579040 0.91 SCARB1 (0.36) PTGDR2HRH1HTR6SCARB1DRD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094658-B1 TETRAHYDROCYCLOPENTA[B]INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2011-12-21 — — EP disclosed
US-7968587-B2 Tetrahydrocyclopenta[b]indole compounds as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-06-28 — — US disclosed
US-7968587-B2 Tetrahydrocyclopenta[b]indole compounds as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-06-28 — — US disclosed
US-7968587-B2 Tetrahydrocyclopenta[b]indole compounds as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-06-28 — — US disclosed
US-20100069404-A1 TETRAHYDROCYCLOPENTA[b] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-03-18 — — US disclosed
US-20100069404-A1 TETRAHYDROCYCLOPENTA[b] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-03-18 — — US disclosed
US-20100069404-A1 TETRAHYDROCYCLOPENTA[b] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-03-18 — — 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-20100069404-A1 TETRAHYDROCYCLOPENTA[b] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, NR5A1, MUSK PTGDR2 238/4885HRH1 1313/4885HTR6 251/4885

“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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