Sugi Predict

Sugi Predict / Compounds / SCHEMBL507306

SCHEMBL507306

SCHEMBL507306

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(C(=O)c4cccc(C#N)c4)cc3)c2CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.35
▸ VNN1 O95497 3/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ NOTCH1 P46531 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MCHR1 Q99705 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
SCHEMBL507777 0.83 HDAC1 (0.42) ESR2SMN1; SMN2KDM1AGPR119GRM5
SCHEMBL507934 0.83 ESR2 (0.42) ESR2SMN1; SMN2KDM1AGPR119NR1H2
SCHEMBL506895 0.83 GPR119 (0.42) ESR2SMN1; SMN2KDM1AGPR119NR1H2
SCHEMBL10230380 0.81 VNN1 (0.40) VNN1
SCHEMBL507558 0.81 KDM1A (0.47) ESR2SMN1; SMN2KDM1AGPR119NR1H2
SCHEMBL506835 0.81 ESR2 (0.43) ESR2SMN1; SMN2KDM1AGPR119NR1H2
Hydrochloric Acid SCHEMBL508850 0.80 VNN1 (0.39) VNN1
SCHEMBL507530 0.80 ESR2 (0.43) ESR2SMN1; SMN2KDM1ANR1H2GAA
SCHEMBL506870 0.79 ESR2 (0.41) ESR2SMN1; SMN2KDM1AGPR119NR1H2
SCHEMBL507986 0.79 SMN1; SMN2 (0.45) ESR2SMN1; SMN2KDM1AGPR119NR1H2

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 210/4885CCNC 1694/4885CDK8 3359/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR2 319/4885CCNC 2403/4885CDK8 4086/4885

“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.