SCHEMBL1178727

SCHEMBL1178727

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.48
BAZ2B Q9UIF8 2/20 0.43
MAPT P10636 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
EPHX2 P34913 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL1178465 1.00 SIRT1 (0.48) SIRT1BAZ2BMAPTNR1H2NR1H3
SCHEMBL15107560 1.00 SIRT1 (0.48) SIRT1BAZ2BMAPTNR1H2NR1H3
SCHEMBL1178463 1.00 SIRT1 (0.48) SIRT1BAZ2BMAPTNR1H2NR1H3
SCHEMBL12637107 0.90 HTR1A (0.51) SIRT1BAZ2BMAPTHTR1AHTR1D
SCHEMBL1758752 0.87 SIRT1 (0.49) SIRT1BAZ2BMAPTNR1H2NR1H3
SCHEMBL13626289 0.87 RB1 (0.47) SIRT1BAZ2BHTR1AHTR1DHTR1B
SCHEMBL1781342 0.87 SIRT1 (0.49) SIRT1BAZ2BMAPTNR1H2NR1H3
SCHEMBL12647415 0.86 HTR1A (0.43) BAZ2BNR1H2NR1H3HTR1AHTR1D
SCHEMBL2022179 0.84 KMT2A (0.40) NR1H2NR1H3HTR1AHTR1DHTR1B
SCHEMBL2022176 0.84 KMT2A (0.40) NR1H2NR1H3HTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486943-B2 Tetrahydrocyclopenta[b]indole androgen receptor modulators ELI LILLY AND COMPANY (US) 2013-07-16 US disclosed
US-8486943-B2 Tetrahydrocyclopenta[b]indole androgen receptor modulators ELI LILLY AND COMPANY (US) 2013-07-16 US disclosed
EP-2297100-B1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2012-10-31 EP disclosed
EP-2297100-B1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2012-10-31 EP disclosed
US-8183388-B2 Androgen receptor modulator and uses thereof ELI LILLY AND COMPANY (US) 2012-05-22 US disclosed
US-8183388-B2 Androgen receptor modulator and uses thereof ELI LILLY AND COMPANY (US) 2012-05-22 US disclosed
US-20110118326-A1 Androgen Receptor Modulator and Uses Thereof ELI LILLY AND COMPANY (US) 2011-05-19 US disclosed
US-20110118326-A1 Androgen Receptor Modulator and Uses Thereof ELI LILLY AND COMPANY (US) 2011-05-19 US disclosed
WO-2011060019-A1 ANDROGEN RECEPTOR MODULATOR AND USES THEREOF ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed
EP-2297100-A1 TETRAHYDROCYCLOPENTAÝB¨INDOLE ANDROGEN RECEPTOR MODULATORS Eli Lilly & Company (US) 2011-03-23 EP disclosed
US-20110039855-A1 Tetrahydrocyclopenta[b]indole Androgen Receptor Modulators ELI LILLY AND COMPANY (US) 2011-02-17 US disclosed
US-20110039855-A1 Tetrahydrocyclopenta[b]indole Androgen Receptor Modulators ELI LILLY AND COMPANY (US) 2011-02-17 US disclosed
WO-2009140448-A1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-11-19 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 (2 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-20110118326-A1 Androgen Receptor Modulator and Uses Thereof AR, SHBG, ESRRA SIRT1 676/4885BAZ2B 3795/4885MAPT 3554/4885
US-20110039855-A1 Tetrahydrocyclopenta[b]indole Androgen Receptor Modulators AR, ADRA1B, ADRB1 SIRT1 1020/4885BAZ2B 3793/4885MAPT 1326/4885

“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.