SCHEMBL12640978

SCHEMBL12640978

CC(C)OC(=O)N[C@H]1Cc2c(n(Cc3nccnc3N)c3ccc(N)cc23)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.32
▸ PTGDR2 Q9Y5Y4 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR6 P50406 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
SCHEMBL2022401 0.89 RET (0.34) RETPTGDR2DRD2HTR6
SCHEMBL2026412 0.89 RET (0.34) RETPTGDR2DRD2HTR6
SCHEMBL13626057 0.89 CYP2C19 (0.32) RETPTGDR2DRD2
SCHEMBL12640885 0.85 PTGDR2 (0.30) PTGDR2DRD2
SCHEMBL14218047 0.80 PTGDR2 (0.32) PTGDR2
SCHEMBL16493840 0.80 SCARB1 (0.35) RETPTGDR2DRD2HTR6
SCHEMBL13563275 0.80 PTGDR2 (0.37) PTGDR2
SCHEMBL2024062 0.79 RORC (0.35) RETPTGDR2DRD2HTR6
SCHEMBL2024064 0.79 RORC (0.35) RETPTGDR2DRD2HTR6
SCHEMBL2023482 0.78 HRH1 (0.35) RETPTGDR2DRD2HTR6

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-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
WO-2008063867-A2 TETRAHYDROCYCLOPENTA[B] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-05-29 — — 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-20100069404-A1 TETRAHYDROCYCLOPENTA[b] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, NR5A1, MUSK RET 2310/4885PTGDR2 238/4885DRD2 1355/4885

“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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