SCHEMBL506899

SCHEMBL506899

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 3/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MLYCD O95822 2/20 0.34
PRLHR P49683 2/20 0.33
PTGER4 P35408 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC8 Q9BY41 1/20 0.33
ACACB O00763 1/20 0.33
HTT P42858 1/20 0.32
ACKR3 P25106 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL507561 0.89 SMN1; SMN2 (0.43) KDM4EMEN1LMNAKMT2AHPGD
SCHEMBL507526 0.87 ESR1 (0.38) HPGDESR1ESR2ALDH1A1PRLHR
SCHEMBL508689 0.87 PTGER4 (0.42) ALDH1A1PTGER4ACACB
SCHEMBL508688 0.87 PTGER4 (0.42) ALDH1A1PTGER4ACACB
SCHEMBL2370033 0.85 ESR1 (0.38) KMT2AHPGDESR1ESR2POLB
SCHEMBL507044 0.85 ESR1 (0.41) KDM4EKMT2AHPGDESR1ESR2
SCHEMBL2584831 0.84 ESR1 (0.38) KMT2AHPGDESR1ESR2PRLHR
SCHEMBL506434 0.84 HTR2A (0.34) KDM4EMEN1LMNAKMT2AHPGD
SCHEMBL507562 0.84 ESR1 (0.40) LMNAHPGDESR1ESR2PRLHR
SCHEMBL507153 0.83 ESR1 (0.41) MEN1KMT2AHPGDESR1ESR2

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
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
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 KDM4E 1208/4885MEN1 3996/4885LMNA 4504/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A KDM4E 623/4885MEN1 3801/4885LMNA 4672/4885

“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.