Sugi Predict

Sugi Predict / Compounds / SCHEMBL506628

SCHEMBL506628

SCHEMBL506628

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(N4CCCCC4)cn3)c2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ CCNK O75909 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ ALK Q9UM73 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL506827 0.86 ESR2 (0.39) MAPTMEN1KMT2AESR2LMNA
SCHEMBL507640 0.86 ESR2 (0.39) SMN1; SMN2MAPTESR2NR1H2KDM1A
SCHEMBL507266 0.85 ESR2 (0.39) GPR119SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL507120 0.85 DDB1 (0.41) GPR119SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL507325 0.85 KDM1A (0.39) GPR119SMN1; SMN2MAPTESR2NR1H2
SCHEMBL10228733 0.84 ESR2 (0.38) GPR119SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL507428 0.82 KDM1A (0.38) MAPTMEN1KMT2AESR2LMNA
SCHEMBL507427 0.82 KDM1A (0.38) MAPTMEN1KMT2AESR2LMNA
SCHEMBL508246 0.82 KDM1A (0.37) GPR119SMN1; SMN2MAPTESR2NR1H2
SCHEMBL507137 0.82 ESR2 (0.41) GPR119SMN1; SMN2MAPTMEN1KMT2A

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 GPR119 36/4885SMN1; SMN2 1853/4885MAPT 4341/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A GPR119 36/4885SMN1; SMN2 2954/4885MAPT 4526/4885

“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.