SCHEMBL507223

SCHEMBL507223

NCc1ccc(C(=O)NCc2cc(C(F)(F)F)ccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.51
KDM1A O60341 1/20 0.51
HDAC1 Q13547 1/20 0.51
GLS O94925 5/20 0.49
SORT1 Q99523 1/20 0.48
MAPK14 Q16539 2/20 0.46
BACE1 P56817 1/20 0.46
LSS P48449 1/20 0.46
SCN3A Q9NY46 1/20 0.46
PPARG P37231 1/20 0.45
NAMPT P43490 1/20 0.45
MEN1 O00255 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL11666512 0.85 RHOC (0.53) MLYCDKDM1AHDAC1GLSSORT1
SCHEMBL506192 0.82 LSS (0.48) MLYCDKDM1AHDAC1MAPK14LSS
SCHEMBL17092324 0.79 GLS (0.52) HDAC1GLSSORT1PPARG
SCHEMBL13570886 0.77 GLS (0.52) GLSSORT1GAATDP1
SCHEMBL506163 0.77 LMNA (0.70) MAPK14MEN1CYP1A2CYP3A4KMT2A
SCHEMBL14082655 0.74 LMNA (0.62) KDM1AHDAC1SORT1MAPK14PPARG
SCHEMBL29351249 0.74 GLS (0.53) GLSSORT1
SCHEMBL18352884 0.74 GLS (0.53) GLSSORT1
SCHEMBL4181950 0.74 LMNA (0.70) SORT1MAPK14MEN1KMT2A
SCHEMBL507307 0.73 ADORA2A (0.51) MLYCDPPARG

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 MLYCD 3257/4885KDM1A 1832/4885HDAC1 1188/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A MLYCD 2090/4885KDM1A 1338/4885HDAC1 2361/4885

“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.