SCHEMBL2370033

SCHEMBL2370033

O=C(NCC(F)(F)F)c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC8 Q9BY41 2/20 0.35
HPGD P15428 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.34
NAMPT P43490 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
POLB P06746 1/20 0.34
PRLHR P49683 2/20 0.33
KMT2A Q03164 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
SCHEMBL507526 0.87 ESR1 (0.38) ESR1ESR2SMN1; SMN2HDAC6HDAC8
SCHEMBL507044 0.87 ESR1 (0.41) ESR1ESR2SMN1; SMN2HDAC6HDAC8
SCHEMBL506344 0.86 ESR1 (0.44) ESR1ESR2SMN1; SMN2HPGDALDH1A1
SCHEMBL507562 0.86 ESR1 (0.40) ESR1ESR2HPGDHTTMAPT
SCHEMBL506258 0.85 ESR2 (0.51) ESR1ESR2HPGDHTTKMT2A
SCHEMBL506899 0.85 KDM4E (0.36) ESR1ESR2HDAC6HDAC8HPGD
SCHEMBL506372 0.85 ESR1 (0.39) ESR1ESR2HDAC6HDAC8HPGD
SCHEMBL507153 0.85 ESR1 (0.41) ESR1ESR2HPGDALDH1A1PRLHR
SCHEMBL12160192 0.84 ESR1 (0.42) ESR1ESR2HPGDALDH1A1HTT
SCHEMBL507138 0.84 HPGD (0.44) ESR1ESR2SMN1; SMN2HPGDALDH1A1

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 4 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
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-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 (1 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 210/4885SMN1; SMN2 1853/4885

“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.