Sugi Predict

Sugi Predict / Compounds / SCHEMBL507566

SCHEMBL507566

SCHEMBL507566

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(C(=O)NCc4ccc(C(F)(F)F)cc4F)cn3)c2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ EPHX2 P34913 6/20 0.36
▸ NR1H4 Q96RI1 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ BTK Q06187 4/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 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
SCHEMBL10274861 0.84 EPHX2 (0.38) RORCEPHX2NR1H4ROCK2
Succinic Acid SCHEMBL507454 0.81 RORC (0.36) RORCEPHX2NR1H4ROCK2
SCHEMBL10228733 0.81 ESR2 (0.38) SMN1; SMN2HTTNPSR1GPR119MEN1
SCHEMBL507266 0.81 ESR2 (0.39) RORCSMN1; SMN2NPSR1GPR119MEN1
SCHEMBL507567 0.80 RORC (0.36) RORCJAK2JAK3PTK2SMN1; SMN2
SCHEMBL507640 0.80 ESR2 (0.39) JAK2JAK3PTK2SMN1; SMN2POLB
Succinic Acid SCHEMBL4247897 0.78 RORC (0.35) RORCEPHX2NR1H4ROCK2
SCHEMBL506827 0.77 ESR2 (0.39) MEN1KMT2APOLBLMNAMAPT
SCHEMBL507427 0.76 KDM1A (0.38) MEN1KMT2APOLBLMNAMAPT
SCHEMBL507428 0.76 KDM1A (0.38) MEN1KMT2APOLBLMNAMAPT

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 RORC 309/4885JAK2 578/4885JAK3 1258/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A RORC 783/4885JAK2 389/4885JAK3 733/4885

“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.