SCHEMBL506945

SCHEMBL506945

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccccc3F)c2CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM1A O60341 3/20 0.43
KDM1B Q8NB78 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
P2RX3 P56373 1/20 0.42
ESR2 Q92731 1/20 0.41
CXCR2 P25025 1/20 0.41
PKM P14618 1/20 0.39
GFER P55789 1/20 0.39
TSHR P16473 2/20 0.39
NR1H2 P55055 1/20 0.39
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL507967 0.90 MAPT (0.45) MAPTSMN1; SMN2KDM1AESR2TSHR
SCHEMBL506629 0.87 MAPT (0.40) MAPTSMN1; SMN2KDM1AKDM1BGPR119
SCHEMBL506630 0.84 SMN1; SMN2 (0.37) MAPTSMN1; SMN2KDM1AKDM1BP2RX3
SCHEMBL506745 0.83 ESR2 (0.41) SMN1; SMN2KDM1AGPR119ESR2NR1H2
SCHEMBL10229265 0.82 ESR2 (0.48) MAPTKDM1AGPR119ESR2NR1H2
SCHEMBL506946 0.82 ESR2 (0.41) MAPTSMN1; SMN2KDM1AGPR119ESR2
SCHEMBL506835 0.82 ESR2 (0.43) MAPTSMN1; SMN2KDM1AKDM1BGPR119
SCHEMBL507558 0.82 KDM1A (0.47) MAPTSMN1; SMN2KDM1AGPR119ESR2
SCHEMBL507735 0.81 ESR2 (0.40) MAPTSMN1; SMN2KDM1AGPR119ESR2
SCHEMBL507948 0.81 ESR2 (0.41) MAPTSMN1; SMN2GPR119ESR2PKM

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 MAPT 4341/4885SMN1; SMN2 1853/4885KDM1A 1832/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A MAPT 4526/4885SMN1; SMN2 2954/4885KDM1A 1338/4885

“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.