SCHEMBL507425

SCHEMBL507425

CC(NC(=O)c1ccc(CN)cc1F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
ALOX5AP P20292 7/20 0.44
FEN1 P39748 7/20 0.44
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
PLG P00747 2/20 0.40
KLK1 P06870 2/20 0.40
KLK6 Q92876 2/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
POLB P06746 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ESRRG P62508 1/20 0.38
JAK2 O60674 1/20 0.38
MAPK14 Q16539 1/20 0.37

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
SCHEMBL507424 1.00 LOXL2 (0.45) LOXL2ALOX5APFEN1HDAC4HDAC6
SCHEMBL15729574 0.79 GAA (0.51) LOXL2HDAC6PLGKLK1KLK6
SCHEMBL507000 0.78 POLB (0.49) LOXL2ALOX5APFEN1PLGKLK1
SCHEMBL506657 0.78 HDAC3 (0.54) LOXL2HDAC6KLK1
Hydrochloric Acid SCHEMBL17091310 0.78 LOXL2 (0.50) LOXL2HDAC6PLGKLK1KLK6
SCHEMBL25711087 0.78 HDAC3 (0.54) LOXL2HDAC6KLK1
SCHEMBL28434660 0.77 ALOX5AP (0.44) ALOX5APFEN1POLBJAK2MAPK14
SCHEMBL16240372 0.77 ALOX5AP (0.44) ALOX5APFEN1POLBJAK2MAPK14
SCHEMBL507397 0.77 TRPA1 (0.52) POLB
SCHEMBL507398 0.77 TRPA1 (0.52) POLB

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 LOXL2 2266/4885ALOX5AP 1358/4885FEN1 4781/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A LOXL2 2235/4885ALOX5AP 679/4885FEN1 4689/4885

“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.