SCHEMBL506192

SCHEMBL506192

NCc1ccc(C(=O)NCc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.48
MLYCD O95822 2/20 0.47
MAPK14 Q16539 1/20 0.46
PTGS1 P23219 1/20 0.46
PSMD14 O00487 1/20 0.46
STAMBP O95630 1/20 0.46
RORC P51449 3/20 0.46
HDAC1 Q13547 3/20 0.46
KDM1A O60341 2/20 0.46
PPARD Q03181 2/20 0.45
SCN3A Q9NY46 1/20 0.45
NAMPT P43490 2/20 0.45
KMT2A Q03164 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 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
SCHEMBL21921823 0.85 VNN1 (0.50) LSSMLYCDPTGS1PPARDNAMPT
SCHEMBL2133620 0.84 LMNA (0.52) KMT2AHDAC3HDAC6
SCHEMBL507250 0.84 L3MBTL1 (0.49) MAPK14STAMBPNAMPTHDAC3HDAC6
SCHEMBL507223 0.82 MLYCD (0.51) LSSMLYCDMAPK14PSMD14STAMBP
SCHEMBL2137668 0.81 NPC1 (0.54) MLYCDMAPK14PTGS1PPARDKMT2A
SCHEMBL2135933 0.81 PPARD (0.62) MAPK14PPARDSCN3ANAMPTKMT2A
SCHEMBL23774744 0.77 KMT2A (0.51) PTGS1HDAC1KMT2AHDAC3HDAC6
SCHEMBL31041224 0.77 KMT2A (0.54) PTGS1KDM1APPARDKMT2A
SCHEMBL25376788 0.77 KMT2A (0.54) PTGS1KDM1APPARDKMT2A
SCHEMBL14562254 0.76 KMT2A (0.49) PTGS1KDM1AKMT2A

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 LSS 3518/4885MLYCD 3257/4885MAPK14 1623/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A LSS 3577/4885MLYCD 2090/4885MAPK14 1929/4885

“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.