SCHEMBL506947

SCHEMBL506947

O=C(NCc1ccc(F)c(F)c1F)c1ccc(CCl)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.65
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
NLRP1 Q9C000 1/20 0.52
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
P2RX7 Q99572 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43
NAMPT P43490 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL507217 0.81 PPARG (0.56) LMNAEPHX2NR1H4HDAC3HDAC8
SCHEMBL507917 0.80 EPHX2 (0.55) LMNAEPHX2NR1H4MEN1KMT2A
SCHEMBL678985 0.79 CA2 (1.00) CA2EPHX2NR1H4KMT2A
SCHEMBL507259 0.76 EPHX2 (0.66) EPHX2HDAC3HDAC6P2RX7
SCHEMBL21674205 0.73 CA1 (0.55) CA2LMNAMAPK1MEN1KMT2A
SCHEMBL507529 0.73 LSS (0.68) EPHX2NR1H4MEN1KMT2ACYP1A2
SCHEMBL29673221 0.73 CA2 (0.56) CA2P2RX7CYP2C19
SCHEMBL29788857 0.73 CA2 (0.52) CA2P2RX7
SCHEMBL21674206 0.72 HDAC6 (0.54) LMNAEPHX2NR1H4HDAC8HDAC6
SCHEMBL3962896 0.71 LMNA (0.60) LMNAMAPK1NLRP1EPHX2NR1H4

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 CA2 4662/4885LMNA 4504/4885MAPK1 3503/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CA2 4846/4885LMNA 4672/4885MAPK1 3410/4885

“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.