SCHEMBL507917

SCHEMBL507917

O=C(NCc1ccc(C(F)(F)F)cc1F)c1ccc(CCl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.55
NR1H4 Q96RI1 3/20 0.55
PTGER4 P35408 1/20 0.54
MLYCD O95822 2/20 0.53
PPARD Q03181 5/20 0.49
PPARA Q07869 5/20 0.49
PPARG P37231 3/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.48
LSS P48449 1/20 0.48
MAPK14 Q16539 2/20 0.46
MEN1 O00255 1/20 0.46
PLA2G1B P04054 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL507529 0.82 LSS (0.68) EPHX2NR1H4PTGER4MLYCDPPARA
SCHEMBL506527 0.81 MLYCD (0.72) EPHX2MLYCDPPARAPPARGKMT2A
SCHEMBL507259 0.81 EPHX2 (0.66) EPHX2PPARG
SCHEMBL506947 0.80 CA2 (0.65) EPHX2NR1H4KMT2ALMNAL3MBTL1
SCHEMBL27402581 0.77 EPHX2 (0.50) EPHX2NR1H4PTGER4MLYCDPPARD
SCHEMBL7979888 0.76 IDO1 (0.50) EPHX2NR1H4PTGER4MLYCDPPARD
SCHEMBL507217 0.75 PPARG (0.56) EPHX2NR1H4PTGER4MLYCDPPARG
SCHEMBL23675370 0.74 TMPRSS4 (0.67) PPARDPPARAPPARGKMT2ALMNA
SCHEMBL30100387 0.74 TMPRSS4 (0.67) PPARDPPARAPPARGKMT2ALMNA
SCHEMBL20543171 0.73 MEN1 (0.51) MLYCDKMT2ALMNALSSMEN1

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
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 EPHX2 1833/4885NR1H4 162/4885PTGER4 446/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A EPHX2 1418/4885NR1H4 240/4885PTGER4 154/4885

“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.