SCHEMBL835948

SCHEMBL835948

COc1cccc([C@@H](O)[C@H](C)N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.61
ADRB1 P08588 1/20 0.61
MIF P14174 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2B P41595 1/20 0.61
AOC3 Q16853 3/20 0.58
LMNA P02545 3/20 0.55
HIF1A Q16665 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ADRA2A P08913 2/20 0.55
ADRA2C P18825 1/20 0.55
TAAR1 Q96RJ0 2/20 0.54
CYP2D6 P10635 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
ALOX15 P16050 1/20 0.49

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
SCHEMBL27650625 1.00 ADRA1A (0.61) ADRA1AADRB1MIFHTR2AHTR2B
SCHEMBL2032779 1.00 ADRA1A (0.61) ADRA1AADRB1MIFHTR2AHTR2B
Hydrochloric Acid SCHEMBL836712 0.98 ADRA1A (0.59) ADRA1AADRB1MIFHTR2AHTR2B
Hydrochloric Acid SCHEMBL27765899 0.98 ADRA1A (0.59) ADRA1AADRB1MIFHTR2AHTR2B
Hydrochloric Acid SCHEMBL11697885 0.98 ADRA1A (0.59) ADRA1AADRB1MIFHTR2AHTR2B
SCHEMBL2608969 0.87 AOC3 (0.58) AOC3KDM4ETAAR1L3MBTL1MAPK1
SCHEMBL11604883 0.87 AOC3 (0.62) AOC3L3MBTL1ALDH1A1MAPK1TSHR
SCHEMBL28623121 0.85 AOC3 (0.58) ADRA1AAOC3ADRA2ATAAR1L3MBTL1
SCHEMBL8128863 0.84 AOC3 (0.56) ADRA1AADRB1MIFHTR2AHTR2B
SCHEMBL18896729 0.83 AOC3 (0.60) AOC3TAAR1L3MBTL1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013001294-A1 CRYSTALLINE FORM OF INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2013-01-03 WO disclosed
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
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
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-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-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-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-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
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 ADRA1A 679/4885ADRB1 361/4885MIF 502/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ADRA1A 679/4885ADRB1 361/4885MIF 502/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ADRA1A 679/4885ADRB1 361/4885MIF 502/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ADRA1A 679/4885ADRB1 361/4885MIF 502/4885

“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.