SCHEMBL508297

SCHEMBL508297

CCCNC(=O)c1ccc(CNc2c(Cl)ccc3c2CCN(OC(C)(C)C)CC3=C=O)cc1F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ESRRG P62508 1/20 0.33
PTGDR2 Q9Y5Y4 4/20 0.33
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
MCHR1 Q99705 1/20 0.32
PPARG P37231 1/20 0.31
PDE5A O76074 3/20 0.31
EPHX2 P34913 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHRM4 P08173 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
SCHEMBL508296 0.77 ESR2 (0.39) ESRRG
SCHEMBL10274978 0.73 POLB (0.41) CNR1CNR2ESRRGPOLBTHRB
SCHEMBL507864 0.71 WDR5 (0.41) CNR1CNR2ESRRGPOLBTHRB
SCHEMBL507644 0.66 ESR2 (0.44) PDE5AEPHX2NR1H4KMT2A
SCHEMBL507031 0.66 ESR2 (0.40)
SCHEMBL10230576 0.65 WDR5 (0.42) ESRRGMCHR1PPARGEPHX2NR1H4
SCHEMBL507369 0.64 ESR1 (0.39) THRBPDE5AHSD17B10
Succinic Acid SCHEMBL508566 0.64 CA12 (0.37) ESRRGPTGDR2EPHX2NR1H4
Succinic Acid SCHEMBL508077 0.64 PTGS2 (0.37) EPHX2NR1H4
Succinic Acid SCHEMBL508587 0.63 PTGS2 (0.38) PDE5A

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 2 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CNR1 88/4885CNR2 108/4885ESRRG 336/4885

“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.