Sugi Predict

Sugi Predict / Compounds / SCHEMBL506629

SCHEMBL506629

SCHEMBL506629

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(Oc4ccccc4)cc3F)c2CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ESR2 Q92731 1/20 0.38
▸ GHSR Q92847 2/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ KDM1B Q8NB78 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ CSF1R P07333 2/20 0.35
▸ RORC P51449 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ S1PR2 O95136 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ DPP4 P27487 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
SCHEMBL506945 0.87 MAPT (0.51) MAPTSMN1; SMN2ESR2KDM1AKDM1B
SCHEMBL506630 0.83 SMN1; SMN2 (0.37) MAPTSMN1; SMN2ESR2KDM1AKDM1B
SCHEMBL507967 0.81 MAPT (0.45) MAPTSMN1; SMN2ESR2KDM1ANR1H2
SCHEMBL506695 0.80 ESR2 (0.38) MAPTSMN1; SMN2ESR2KDM1ANR1H2
SCHEMBL506745 0.80 ESR2 (0.41) SMN1; SMN2ESR2KDM1ANR1H2RORC
SCHEMBL507908 0.78 YAP1 (0.46) SMN1; SMN2ESR2GHSRGPR119
SCHEMBL10229265 0.78 ESR2 (0.48) MAPTESR2KDM1ANR1H2GPR119
SCHEMBL506870 0.78 ESR2 (0.41) MAPTSMN1; SMN2ESR2KDM1ANR1H2
SCHEMBL506946 0.77 ESR2 (0.41) MAPTSMN1; SMN2ESR2KDM1ANR1H2
Succinic Acid SCHEMBL507289 0.77 PPARG (0.35) —

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 MAPT 4341/4885SMN1; SMN2 1853/4885ESR2 210/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A MAPT 4526/4885SMN1; SMN2 2954/4885ESR2 319/4885

“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.