SCHEMBL974483

SCHEMBL974483

COC(=O)[C@]1(C)[C@H](O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
EPHX1 P07099 1/20 0.37
HPGD P15428 1/20 0.35
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
HSD11B1 P28845 1/20 0.33
PREP P48147 1/20 0.33
STS P08842 1/20 0.32

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
SCHEMBL6026752 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL6026756 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL13125666 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL4370463 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL28044757 0.85 EPHX1 (0.37) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL28735688 0.85 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL29519744 0.85 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL25348441 0.85 ALDH1A1 (0.38) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL30782513 0.85 ALDH1A1 (0.38) CHRM2CHRM1CHRM3EPHX1HPGD
SCHEMBL24069211 0.80 CHRM2 (0.44) CHRM2CHRM1CHRM3EPHX1HPGD

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989640-B2 Sulfonylpyrrolidine modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
US-7989640-B2 Sulfonylpyrrolidine modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
US-7989640-B2 Sulfonylpyrrolidine modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
US-20110015408-A1 SULFONYLPYRROLIDINE MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110015408-A1 SULFONYLPYRROLIDINE MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110015408-A1 SULFONYLPYRROLIDINE MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-7820702-B2 Nonsteroidal, nontoxic tissue selective modulators for side effect reduction; age-related and androgen-receptor related conditions such as sarcopenia; e.g. 4-(4-Hydroxy-1,1,3-trioxohexahydrothia-2,6a-diazapentalen-2-yl)-2-chloro-3-methylbenzonitrile BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-26 US disclosed
US-7820702-B2 Nonsteroidal, nontoxic tissue selective modulators for side effect reduction; age-related and androgen-receptor related conditions such as sarcopenia; e.g. 4-(4-Hydroxy-1,1,3-trioxohexahydrothia-2,6a-diazapentalen-2-yl)-2-chloro-3-methylbenzonitrile BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-26 US disclosed
US-7772267-B2 or other nuclear hormone receptors inhibitors; 4-(7-Hydroxy-1,3-dioxo-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile; age-related diseases: sarcopenia, muscular atrophy, lipodistrophy, long-term critical illness, chronic fatigue syndrome, bone fracture repair BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7772267-B2 or other nuclear hormone receptors inhibitors; 4-(7-Hydroxy-1,3-dioxo-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile; age-related diseases: sarcopenia, muscular atrophy, lipodistrophy, long-term critical illness, chronic fatigue syndrome, bone fracture repair BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7405234-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
EP-1506178-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20050187267-A1 Sulfonylpyrrolidine modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY 2005-08-25 US disclosed
EP-1506178-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
US-20040019063-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-01-29 US disclosed
WO-2003096980-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-27 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 (6 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-20040019063-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA CHRM2 533/4885CHRM1 537/4885CHRM3 480/4885
US-20050187267-A1 Sulfonylpyrrolidine modulators of androgen receptor function and method NR3C2, AR, NR4A3 CHRM2 138/4885CHRM1 206/4885CHRM3 87/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA CHRM2 489/4885CHRM1 461/4885CHRM3 423/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG CHRM2 467/4885CHRM1 536/4885CHRM3 352/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 CHRM2 44/4885CHRM1 19/4885CHRM3 175/4885
US-20110015408-A1 SULFONYLPYRROLIDINE MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD AR, NR5A1, NR4A1 CHRM2 685/4885CHRM1 672/4885CHRM3 840/4885

“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.