SCHEMBL507139

SCHEMBL507139

O=C(N1CCc2ccc(Cl)c(O)c2CC1)C(F)(F)F.[N]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.53
ESR2 Q92731 9/20 0.53
PKM P14618 1/20 0.37
NOTUM Q6P988 2/20 0.36
ABHD6 Q9BV23 2/20 0.35
ACKR3 P25106 1/20 0.35
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 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
SCHEMBL506164 0.99 ESR1 (0.55) ESR1ESR2PKMNOTUMABHD6
SCHEMBL506186 0.83 ESR1 (0.50) ESR1ESR2PKMNOTUMABHD6
SCHEMBL507012 0.83 ESR1 (0.52) ESR1ESR2PKMABHD6ACKR3
SCHEMBL507017 0.82 ESR2 (0.51) ESR1ESR2PKMABHD6ACKR3
SCHEMBL507349 0.82 ESR1 (0.51) ESR1ESR2PKMABHD6ACKR3
SCHEMBL507579 0.82 ESR1 (0.51) ESR1ESR2PKMABHD6ACKR3
SCHEMBL2258012 0.81 ESR1 (0.48) ESR1ESR2PKMNOTUMABHD6
SCHEMBL2255041 0.81 ESR1 (0.48) ESR1ESR2PKMNOTUMABHD6
SCHEMBL507076 0.81 ESR1 (0.50) ESR1ESR2PKMABHD6ACKR3
SCHEMBL2209332 0.80 ESR1 (0.47) ESR1ESR2PKMNOTUMABHD6

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 210/4885PKM 4612/4885
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 319/4885PKM 4340/4885

“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.