Sugi Predict

Sugi Predict / Compounds / SCHEMBL507134

SCHEMBL507134

SCHEMBL507134

C[C@H](Nc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.43
▸ ESR2 Q92731 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.39
▸ ASPH Q12797 1/20 0.39
▸ KDM8 Q8N371 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ ACACB O00763 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ABHD6 Q9BV23 1/20 0.34
▸ KDM1A O60341 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
SCHEMBL507135 1.00 ESR1 (0.43) ESR1ESR2KDM4EASPHKDM8
SCHEMBL507438 0.92 ESR1 (0.43) ESR1ESR2ACACBABHD6
SCHEMBL508097 0.91 ESR1 (0.42) ESR1ESR2KMT2AMEN1ACACB
SCHEMBL508096 0.91 ESR1 (0.42) ESR1ESR2KMT2AMEN1ACACB
SCHEMBL506602 0.90 ESR1 (0.41) ESR1ESR2ACACB
SCHEMBL506880 0.89 ESR1 (0.42) ESR1ESR2ACKR3
SCHEMBL507772 0.87 ESR1 (0.41) ESR1ESR2ACKR3
SCHEMBL508047 0.86 ESR1 (0.40) ESR1ESR2ACKR3ACACBMAPT
SCHEMBL506760 0.86 ESR1 (0.42) ESR1ESR2
SCHEMBL2368632 0.85 ESR1 (0.39) ESR1ESR2KDM4EKMT2AACKR3

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 210/4885KDM4E 1208/4885
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 319/4885KDM4E 623/4885

“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.