SCHEMBL506285

SCHEMBL506285

O=C(N1CCc2c(F)cc(Cl)c(OCc3ccc(F)cc3)c2CC1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.39
PTGDR2 Q9Y5Y4 8/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
S1PR5 Q9H228 1/20 0.37
HPD P32754 1/20 0.37
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PARP1 P09874 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
Hydrochloric Acid SCHEMBL506204 0.99 PREP (0.39) PREPPTGDR2MEN1MAPTKMT2A
SCHEMBL11947413 0.77 SLC6A4 (0.45) MEN1MAPTKMT2AALDH1A1HTT
SCHEMBL506320 0.76 ESR1 (0.36) PTGDR2MEN1MAPTKMT2AESR1
SCHEMBL506331 0.74 ESR1 (0.45) MAPTESR1ESR2SMN1; SMN2
SCHEMBL506572 0.71 ESR1 (0.40) MAPTKMT2AESR1ESR2LMNA
SCHEMBL507174 0.70 GRM1 (0.41) PTGDR2
SCHEMBL506282 0.70 ESR2 (0.48) MEN1KMT2AESR2HPDPOLB
SCHEMBL506274 0.68 ESR1 (0.45) MAPTESR1ESR2HTTS1PR5
SCHEMBL507592 0.68 ESR1 (0.36) MAPTESR1ESR2SMN1; SMN2
SCHEMBL507028 0.67 ESR1 (0.44) MAPTESR1ESR2SMN1; SMN2HTT

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 PREP 3767/4885PTGDR2 312/4885MEN1 3996/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PREP 2846/4885PTGDR2 233/4885MEN1 3801/4885

“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.