SCHEMBL508593

SCHEMBL508593

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3cnc(Cl)s3)c2CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.39
NR1H2 P55055 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MKNK1 Q9BUB5 3/20 0.38
ACACB O00763 1/20 0.37
POLB P06746 1/20 0.37
KDM1A O60341 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
P2RX3 P56373 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL506853 0.84 ESR2 (0.41) ESR2KMT2AALDH1A1MAPTNR1H2
SCHEMBL507361 0.83 ESR2 (0.41) ESR2KMT2AALDH1A1MAPTNR1H2
SCHEMBL507047 0.83 ESR2 (0.42) ESR2KMT2AMAPTNR1H2SMN1; SMN2
SCHEMBL507640 0.82 ESR2 (0.39) ESR2MAPTNR1H2SMN1; SMN2MKNK1
SCHEMBL506827 0.82 ESR2 (0.39) ESR2KMT2AMAPTNR1H2MKNK1
SCHEMBL507266 0.81 ESR2 (0.39) ESR2KMT2AMAPTNR1H2SMN1; SMN2
SCHEMBL507558 0.81 KDM1A (0.47) ESR2KMT2AMAPTNR1H2SMN1; SMN2
SCHEMBL506835 0.81 ESR2 (0.43) ESR2KMT2AMAPTNR1H2SMN1; SMN2
SCHEMBL507923 0.81 ESR2 (0.40) ESR2KMT2AALDH1A1MAPTNR1H2
SCHEMBL507325 0.80 KDM1A (0.39) ESR2MAPTNR1H2SMN1; SMN2MKNK1

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 ESR2 210/4885KMT2A 1239/4885ALDH1A1 866/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR2 319/4885KMT2A 1218/4885ALDH1A1 500/4885

“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.