SCHEMBL507640

SCHEMBL507640

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
KDM1A O60341 4/20 0.39
NR1H2 P55055 1/20 0.37
TACR3 P29371 1/20 0.36
ACACB O00763 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
HPGDS O60760 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34

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
SCHEMBL507428 0.92 KDM1A (0.38) ESR2KDM1ANR1H2TACR3ACACB
SCHEMBL507427 0.92 KDM1A (0.38) ESR2KDM1ANR1H2TACR3ACACB
SCHEMBL507951 0.91 KDM1A (0.38) ESR2KDM1ANR1H2TACR3ACACB
SCHEMBL506827 0.89 ESR2 (0.39) ESR2KDM1ANR1H2ACACBMAPT
SCHEMBL507266 0.89 ESR2 (0.39) ESR2KDM1ANR1H2ACACBMAPT
SCHEMBL507325 0.88 KDM1A (0.39) ESR2KDM1ANR1H2ACACBMAPT
SCHEMBL10228733 0.87 ESR2 (0.38) ESR2KDM1ANR1H2ACACBMAPT
SCHEMBL506628 0.86 GPR119 (0.39) ESR2KDM1ANR1H2MAPTSMN1; SMN2
SCHEMBL507120 0.85 DDB1 (0.41) ESR2NR1H2MAPTSMN1; SMN2
SCHEMBL508246 0.85 KDM1A (0.37) ESR2KDM1ANR1H2ACACBMAPT

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 210/4885KDM1A 1832/4885NR1H2 299/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR2 319/4885KDM1A 1338/4885NR1H2 665/4885

“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.