Sugi Predict

Sugi Predict / Compounds / SCHEMBL507366

SCHEMBL507366

SCHEMBL507366

O=C(N1CCc2ccc(Cl)c(C#Cc3ccccc3F)c2CC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.41
▸ ESR2 Q92731 6/20 0.41
▸ TDP1 Q9NUW8 1/20 0.36
▸ ACKR3 P25106 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ABHD6 Q9BV23 2/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GRM5 P41594 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32

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
SCHEMBL3963048 0.85 ESR1 (0.43) ESR1ESR2ACKR3ABHD6GRM5
SCHEMBL508374 0.81 ESR1 (0.42) ESR1ESR2GRM5ALDH1A1HPGD
SCHEMBL507681 0.81 GRM5 (0.43) ESR1ESR2GRM5ALDH1A1
SCHEMBL2255041 0.79 ESR1 (0.48) ESR1ESR2ACKR3GAAABHD6
SCHEMBL507887 0.79 ESR1 (0.43) ESR1ESR2ACKR3GAAL3MBTL1
SCHEMBL3964764 0.78 ESR1 (0.39) ESR1ESR2GRM5HPGD
SCHEMBL13768678 0.78 ESR1 (0.48) ESR1ESR2ABHD6GRM5ALDH1A1
SCHEMBL3963762 0.75 ESR1 (0.40) ESR1ESR2TDP1ACKR3GAA
SCHEMBL3963758 0.75 ESR1 (0.40) ESR1ESR2TDP1ACKR3GAA
SCHEMBL14091660 0.75 ESR1 (0.40) ESR1ESR2TDP1ACKR3GAA

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 ESR1 331/4885ESR2 210/4885TDP1 4267/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR1 311/4885ESR2 319/4885TDP1 4109/4885

“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.