SCHEMBL506970

SCHEMBL506970

Cc1cccc(C(C)OS(C)(=O)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
GLO1 Q04760 1/20 0.34
APLNR P35414 1/20 0.33
KMO O15229 1/20 0.33
SORT1 Q99523 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
NT5E P21589 1/20 0.32
MAP4K4 O95819 1/20 0.32
GRM5 P41594 2/20 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
SCHEMBL506969 1.00 HTT (0.41) HTTRECQLCCR1CCR8ALDH1A1
SCHEMBL9740050 0.81 ALDH1A1 (0.44) HTTRECQLALDH1A1KDM4EHPGD
SCHEMBL12137376 0.78 KMT2A (0.44) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24375611 0.76 HTT (0.43) HTTRECQLCCR1CCR8ALDH1A1
SCHEMBL17881711 0.76 HTT (0.43) HTTRECQLCCR1CCR8ALDH1A1
SCHEMBL24375836 0.76 HTT (0.43) HTTRECQLCCR1CCR8ALDH1A1
SCHEMBL23611679 0.75 POLB (0.36) ALDH1A1
SCHEMBL7752799 0.74 NOS3 (0.43) HTTRECQLCCR1CCR8ALDH1A1
SCHEMBL506978 0.74 SLC6A3 (0.44) ALDH1A1KDM4ELMNA
SCHEMBL1307914 0.74 SLC6A3 (0.44) ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
CN-102329267-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-25 CN disclosed
CN-102311387-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-11 CN disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
WO-2005044265-A1 ALKYNES III ASTRAZENECA AB (SE) 2005-05-19 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 (2 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HTT 770/4885RECQL 3280/4885CCR1 1522/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HTT 581/4885RECQL 2192/4885CCR1 1480/4885

“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.