SCHEMBL507102

SCHEMBL507102

Cc1ccc2c(c1SCc1ccc(F)cc1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.43
KDM1A O60341 2/20 0.42
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
THRB P10828 1/20 0.39
BRD3 Q15059 1/20 0.38
PTGER4 P35408 1/20 0.38
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL507666 0.87 GPR119 (0.41) PLA2G7KDM1AESR2NR1H2SMN1; SMN2
SCHEMBL10229363 0.82 ESR2 (0.45) ESR2NR1H2BRD3GRM5MEN1
SCHEMBL506835 0.80 ESR2 (0.43) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL507530 0.79 ESR2 (0.43) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL10229370 0.79 ESR2 (0.47) ESR2NR1H2SMN1; SMN2GRM5MEN1
SCHEMBL507934 0.78 ESR2 (0.42) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL507728 0.78 ESR2 (0.44) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL506895 0.78 GPR119 (0.42) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL507469 0.78 GPR119 (0.41) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL17462500 0.78 ESR2 (0.51) ESR2NR1H2SMN1; SMN2GRM5MEN1

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 PLA2G7 3861/4885KDM1A 1832/4885ESR2 210/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PLA2G7 2405/4885KDM1A 1338/4885ESR2 319/4885

“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.