SCHEMBL507120

SCHEMBL507120

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(C4CCCCC4)cn3)c2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
MAPT P10636 2/20 0.38
WNT3A P56704 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ESR2 Q92731 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NR1H2 P55055 1/20 0.36
TP53 P04637 1/20 0.36
NAMPT P43490 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
NPC1L1 Q9UHC9 1/20 0.35

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
SCHEMBL506628 0.85 GPR119 (0.39) MAPTWNT3AMEN1KMT2AESR2
SCHEMBL507325 0.85 KDM1A (0.39) MAPTESR2GPR119SMN1; SMN2NR1H2
SCHEMBL507640 0.85 ESR2 (0.39) MAPTESR2SMN1; SMN2NR1H2
SCHEMBL506827 0.85 ESR2 (0.39) MAPTMEN1KMT2AESR2LMNA
SCHEMBL507266 0.84 ESR2 (0.39) MAPTMEN1KMT2AESR2GPR119
SCHEMBL10228733 0.83 ESR2 (0.38) MAPTMEN1KMT2AESR2GPR119
SCHEMBL508246 0.81 KDM1A (0.37) MAPTESR2GPR119SMN1; SMN2NR1H2
SCHEMBL507428 0.81 KDM1A (0.38) MAPTMEN1KMT2AESR2LMNA
SCHEMBL507427 0.81 KDM1A (0.38) MAPTMEN1KMT2AESR2LMNA
SCHEMBL507137 0.80 ESR2 (0.41) MAPTMEN1KMT2AESR2GPR119

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 5 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
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 DDB1 3645/4885CRBN 2242/4885MAPT 4341/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A DDB1 3934/4885CRBN 3705/4885MAPT 4526/4885

“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.