SCHEMBL507428

SCHEMBL507428

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(C=Cc4ccc(F)cc4)cn3)c2CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
ESR2 Q92731 1/20 0.36
TACR3 P29371 1/20 0.35
LTB4R Q15722 2/20 0.35
NR1H2 P55055 1/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
ACACB O00763 1/20 0.34
MAPT P10636 2/20 0.33
HDAC1 Q13547 1/20 0.33
HPGDS O60760 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33

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
SCHEMBL507427 1.00 KDM1A (0.38) KDM1AESR2TACR3LTB4RNR1H2
SCHEMBL507640 0.92 ESR2 (0.39) KDM1AESR2TACR3NR1H2GRM5
SCHEMBL507951 0.88 KDM1A (0.38) KDM1AESR2TACR3NR1H2GRM5
SCHEMBL506827 0.85 ESR2 (0.39) KDM1AESR2NR1H2ACACBMAPT
SCHEMBL507266 0.84 ESR2 (0.39) KDM1AESR2NR1H2ACACBMAPT
SCHEMBL507325 0.83 KDM1A (0.39) KDM1AESR2NR1H2ACACBMAPT
SCHEMBL10228733 0.83 ESR2 (0.38) KDM1AESR2NR1H2ACACBMAPT
SCHEMBL506628 0.82 GPR119 (0.39) KDM1AESR2NR1H2MAPTMEN1
SCHEMBL507120 0.81 DDB1 (0.41) ESR2NR1H2MAPTMEN1KMT2A
SCHEMBL508246 0.81 KDM1A (0.37) KDM1AESR2NR1H2ACACBMAPT

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 KDM1A 1832/4885ESR2 210/4885TACR3 261/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A KDM1A 1338/4885ESR2 319/4885TACR3 342/4885

“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.