SCHEMBL2022176

SCHEMBL2022176

CC(C)(C)OC(=O)N[C@H]1Cc2[nH]c3ccc(C=O)cc3c2C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
EPHX2 P34913 1/20 0.38
BTK Q06187 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
BUB1 O43683 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL2022179 1.00 KMT2A (0.40) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL13626289 0.85 RB1 (0.47) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL12647415 0.84 HTR1A (0.43) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL1178465 0.84 SIRT1 (0.48) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL15107560 0.84 SIRT1 (0.48) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL1178727 0.84 SIRT1 (0.48) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL1178463 0.84 SIRT1 (0.48) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL1178551 0.82 DRD2 (0.44) HTR1AHTR1DHTR1BL3MBTL1
SCHEMBL1178547 0.82 DRD2 (0.44) HTR1AHTR1DHTR1BL3MBTL1
SCHEMBL2029939 0.82 DRD2 (0.44) HTR1AHTR1DHTR1BL3MBTL1

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
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-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 KMT2A 2197/4885MEN1 2000/4885HTR1A 124/4885

“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.