SCHEMBL2111869

SCHEMBL2111869

CCSc1ccc(B(O)O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.35
GCK P35557 1/20 0.35
MAOA P21397 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGS2 P35354 1/20 0.32
EPHX2 P34913 1/20 0.31
OXTR P30559 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL3781762 0.81 SLC6A4 (0.35) SLC6A4MAOAHTR2AHTR2CHTR2B
SCHEMBL31379114 0.79 SLC6A4 (0.34) SLC6A4MAOAHTR2AHTR2CHTR2B
SCHEMBL3784454 0.79 SLC6A4 (0.37) SLC6A4GCKMAOAHTR2AHTR2C
SCHEMBL3491433 0.79 SLC6A4 (0.34) SLC6A4MAOAHTR2AHTR2CHTR2B
SCHEMBL389284 0.78 MAPT (0.38) NPC1RAB9A
SCHEMBL3790401 0.77 SLC6A4 (0.35) SLC6A4GCKMAOAHTR2AHTR2C
SCHEMBL3720200 0.76 ESR1 (0.48)
SCHEMBL3789220 0.76 GCK (0.42) SLC6A4GCKMAOAHTR2AHTR2C
SCHEMBL709839 0.72 MAPT (0.40) SLC6A4GCKMAOAHTR2AHTR2C
SCHEMBL22755708 0.72 SLC6A4 (0.36) SLC6A4GCKMAOAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
EP-1636175-B1 PHENOXYACETIC ACID DERIVATIVES FOR TREATING RESPIRATORY DISORDERS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
US-20060211765-A1 Novel compounds ASTRAZENECA AB (SE) 2006-09-21 US disclosed
EP-1636175-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 WO disclosed
WO-2004089884-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 WO disclosed
EP-1343791-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 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 (3 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-20060211765-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 SLC6A4 458/4885GCK 759/4885MAOA 86/4885
US-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 SLC6A4 458/4885GCK 759/4885MAOA 86/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 SLC6A4 458/4885GCK 759/4885MAOA 86/4885

“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.