SCHEMBL506630

SCHEMBL506630

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(Oc4ccccc4F)cc3)c2CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
ACACB O00763 1/20 0.37
KDM1A O60341 6/20 0.37
MAPT P10636 2/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM1B Q8NB78 1/20 0.36
BTK Q06187 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
P2RX3 P56373 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL507469 0.85 GPR119 (0.41) SMN1; SMN2GAATHRBKDM1AESR2
SCHEMBL506945 0.84 MAPT (0.51) SMN1; SMN2KDM1AMAPTESR2KDM1B
SCHEMBL507908 0.84 YAP1 (0.46) SMN1; SMN2GAATHRBESR2PTGDR2
SCHEMBL506870 0.84 ESR2 (0.41) SMN1; SMN2GAATHRBACACBKDM1A
SCHEMBL506835 0.83 ESR2 (0.43) SMN1; SMN2GAATHRBKDM1AMAPT
SCHEMBL506629 0.83 MAPT (0.40) SMN1; SMN2KDM1AMAPTESR2KDM1B
SCHEMBL507530 0.82 ESR2 (0.43) SMN1; SMN2GAATHRBKDM1AMAPT
SCHEMBL506745 0.82 ESR2 (0.41) SMN1; SMN2GAATHRBKDM1AESR2
SCHEMBL507728 0.82 ESR2 (0.44) SMN1; SMN2GAATHRBKDM1AMAPT
SCHEMBL507934 0.82 ESR2 (0.42) SMN1; SMN2GAATHRBKDM1AMAPT

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 SMN1; SMN2 1853/4885GAA 4466/4885THRB 385/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A SMN1; SMN2 2954/4885GAA 3773/4885THRB 337/4885

“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.