SCHEMBL835786

SCHEMBL835786

CCSc1ccc([C@@H](O)[C@H](C)N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.53
MAOA P21397 1/20 0.53
KDM4E B2RXH2 5/20 0.52
LMNA P02545 3/20 0.52
HIF1A Q16665 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2C P18825 1/20 0.52
ALDH1A1 P00352 1/20 0.50
RECQL P46063 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
MAPT P10636 3/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL20468698 0.81 SLC6A4 (0.53) SLC6A4MAOAHTR2AHTR2B
SCHEMBL20468699 0.81 SLC6A4 (0.53) SLC6A4MAOAHTR2AHTR2B
SCHEMBL5140474 0.79 KDM4E (0.57) SLC6A4MAOAKDM4ELMNAHIF1A
SCHEMBL12101192 0.79 KDM4E (0.57) SLC6A4MAOAKDM4ELMNAHIF1A
SCHEMBL441857 0.79 KDM4E (0.57) SLC6A4MAOAKDM4ELMNAHIF1A
SCHEMBL412304 0.79 KDM4E (0.57) SLC6A4MAOAKDM4ELMNAHIF1A
SCHEMBL412297 0.79 KDM4E (0.57) SLC6A4MAOAKDM4ELMNAHIF1A
SCHEMBL21588739 0.77 LMNA (0.55) SLC6A4KDM4ELMNAHIF1AADRA2A
Hydrochloric Acid SCHEMBL444253 0.77 ALDH1A1 (0.59) SLC6A4MAOAKDM4ELMNAHIF1A
SCHEMBL13175896 0.76 SLC6A4 (0.53) SLC6A4MAOALMNAKMT2A

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 7 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
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-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-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

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 SLC6A4 3271/4885MAOA 995/4885KDM4E 2848/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SLC6A4 3271/4885MAOA 995/4885KDM4E 2848/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SLC6A4 3271/4885MAOA 995/4885KDM4E 2848/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SLC6A4 3271/4885MAOA 995/4885KDM4E 2848/4885

“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.