SCHEMBL507464

SCHEMBL507464

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(NCc3ccccc3)c2CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
ESR2 Q92731 1/20 0.47
STS P08842 2/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
P2RX3 P56373 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL506286 0.91 SMN1; SMN2 (0.46) ACHEESR2GPR119HTTSMN1; SMN2
SCHEMBL507655 0.88 SMN1; SMN2 (0.48) ACHEESR2GPR119HTTSMN1; SMN2
Diphenylmethane SCHEMBL2210782 0.86 ESR2 (0.45) ACHEESR2STSGPR119NR1H2
SCHEMBL507644 0.86 ESR2 (0.44) ACHEESR2GPR119HTTSMN1; SMN2
SCHEMBL2579109 0.84 ESR2 (0.40) ACHEESR2STSGPR119HTT
SCHEMBL2586599 0.84 ESR2 (0.40) ACHEESR2STSGPR119HTT
SCHEMBL2584818 0.84 ESR2 (0.40) ACHEESR2STSGPR119HTT
SCHEMBL507415 0.83 SMN1; SMN2 (0.45) ACHEESR2GPR119HTTSMN1; SMN2
SCHEMBL14046014 0.82 ESR2 (0.39) ACHEESR2STSGPR119HTT
SCHEMBL507060 0.82 ESR2 (0.43) ESR2STSGPR119HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
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 ACHE 3711/4885ESR2 210/4885STS 1579/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ACHE 2690/4885ESR2 319/4885STS 1366/4885

“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.