SCHEMBL10274944

SCHEMBL10274944

Clc1ccc(CSc2c(Cl)ccc3c2CCCCC3)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRG P23470 2/20 0.34
PTPRC P08575 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
HSD11B1 P28845 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
PNMT P11086 1/20 0.31
PPARG P37231 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
SCHEMBL10278028 0.87 MEN1 (0.33) PTPRGPTPRCNPSR1PTGES2HSD11B1
SCHEMBL10278030 0.83 HTT (0.34) NPSR1PTGES2HSD11B1ALDH1A1MAPK1
SCHEMBL10277475 0.81 HTT (0.34) PTPRGNPSR1PTGES2HSD11B1ALDH1A1
SCHEMBL10277787 0.78 RXRA (0.47) PTPRGPTPRCNPSR1MAPTL3MBTL1
SCHEMBL10277531 0.76 KMT2A (0.46) PTPRGALDH1A1KMT2AMEN1LMNA
SCHEMBL10277690 0.76 SLC6A3 (0.37) PTGES2HSD11B1MAPTPNMT
SCHEMBL10274868 0.75 KMT2A (0.38) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL506867 0.74 ESR2 (0.43) NPSR1KMT2AMEN1MAPTL3MBTL1
SCHEMBL10274751 0.74 GBA1 (0.31) NPSR1
SCHEMBL10228938 0.73 HTR2A (0.49) PTPRGKMT2AMEN1MAPTNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 PTPRG 3919/4885PTPRC 2771/4885NPSR1 47/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PTPRG 3012/4885PTPRC 2451/4885NPSR1 60/4885

“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.