SCHEMBL10278028

SCHEMBL10278028

Fc1cc(CSc2c(Cl)ccc3c2CCCCC3)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
PTPRC P08575 1/20 0.32
PTPRG P23470 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD11B1 P28845 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL10274944 0.87 PTPRG (0.34) MEN1KMT2ANPSR1PTPRCPTPRG
SCHEMBL10277787 0.83 RXRA (0.47) NPSR1PTPRCPTPRGPARP1MAPT
SCHEMBL10278030 0.79 HTT (0.34) KMT2ANPSR1CYP1A2PTGES2ALDH1A1
SCHEMBL10277974 0.78 RXRA (0.41) MEN1KMT2APTPRCPTPRGSLC6A3
SCHEMBL10277475 0.77 HTT (0.34) KMT2ANPSR1PTPRGCYP1A2PTGES2
SCHEMBL506946 0.77 ESR2 (0.41) PARP1MAPT
SCHEMBL10476136 0.76 HTR2C (0.49) MEN1KMT2ACYP1A2CYP2D6HIF1A
SCHEMBL10277690 0.74 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4PTGES2HSD11B1
SCHEMBL10229006 0.73 HTR2A (0.38) MEN1KMT2ANPSR1CYP2D6ALDH1A1
SCHEMBL10229016 0.73 HTR2A (0.38) MEN1KMT2ANPSR1CYP2D6ALDH1A1

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 MEN1 3996/4885KMT2A 1239/4885NPSR1 47/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A MEN1 3801/4885KMT2A 1218/4885NPSR1 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.