SCHEMBL851209

SCHEMBL851209

COc1cccc([C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR139 Q6DWJ6 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
AOC3 Q16853 1/20 0.43

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
SCHEMBL12937977 1.00 HTR1A (0.46) HTR1AADRA2ADRD1SLC6A2SLC6A4
SCHEMBL30695647 1.00 HTR1A (0.46) HTR1AADRA2ADRD1SLC6A2SLC6A4
SCHEMBL8225139 0.85 POLB (0.57) POLBGPR139MEN1KMT2ASMN1; SMN2
SCHEMBL6204577 0.85 POLB (0.57) POLBGPR139MEN1KMT2ASMN1; SMN2
SCHEMBL6484180 0.85 POLB (0.57) POLBGPR139MEN1KMT2ASMN1; SMN2
SCHEMBL10906526 0.84 ADRB1 (0.48) HTR1AADRA2ADRD1ADRA1ADRD3
SCHEMBL850934 0.84 CTSK (0.41) ALDH1A1KMT2ALMNAHTTCYP3A4
SCHEMBL30352836 0.84 ADRB1 (0.48) HTR1AADRA2ADRD1ADRA1ADRD3
SCHEMBL30082809 0.84 ADRB1 (0.48) HTR1AADRA2ADRD1ADRA1ADRD3
SCHEMBL850878 0.84 NPSR1 (0.49) ALDH1A1L3MBTL1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 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 (4 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 HTR1A 2930/4885ADRA2A 381/4885DRD1 3685/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 HTR1A 2930/4885ADRA2A 381/4885DRD1 3685/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 HTR1A 2930/4885ADRA2A 381/4885DRD1 3685/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 HTR1A 2930/4885ADRA2A 381/4885DRD1 3685/4885

“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.