Sugi Predict

Sugi Predict / Compounds / SCHEMBL507090

SCHEMBL507090

SCHEMBL507090

O=C(N1CCc2ccc(Cl)c(NCc3cccc(-c4ccccc4)c3)c2CC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.41
▸ ESR2 Q92731 4/20 0.41
▸ ACKR3 P25106 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FFAR1 O14842 2/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ CXCR4 P61073 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ ABHD6 Q9BV23 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
SCHEMBL506873 0.85 ESR1 (0.40) ESR1ESR2ACKR3MEN1KMT2A
SCHEMBL506372 0.84 ESR1 (0.39) ESR1ESR2ACKR3MEN1KMT2A
SCHEMBL506435 0.83 ESR1 (0.46) ESR1ESR2ACKR3
SCHEMBL506344 0.83 ESR1 (0.44) ESR1ESR2ACKR3KMT2AABHD6
SCHEMBL506258 0.82 ESR2 (0.51) ESR1ESR2ACKR3MEN1KMT2A
SCHEMBL506885 0.82 GPR142 (0.43) ESR1ESR2ACKR3KDM4CL3MBTL1
SCHEMBL12160192 0.81 ESR1 (0.42) ESR1ESR2ACKR3MEN1KMT2A
SCHEMBL507358 0.81 ESR1 (0.42) ESR1ESR2ACKR3
SCHEMBL506844 0.81 ESR1 (0.39) ESR1ESR2
SCHEMBL506379 0.81 ESR1 (0.37) ESR1ESR2ACKR3MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 — — EP disclosed
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 210/4885ACKR3 588/4885
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 319/4885ACKR3 372/4885

“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.