SCHEMBL507304

SCHEMBL507304

NCc1ccc(C(=O)NCC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
CA2 P00918 2/20 0.51
MCHR1 Q99705 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.45
HTR2C P28335 1/20 0.44
TPSAB1 Q15661 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MLYCD O95822 2/20 0.40
LSS P48449 1/20 0.40
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
MLLT1 Q03111 1/20 0.40
ACACB O00763 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL506515 0.87 HDAC3 (0.58) HDAC3HDAC6NCOR2CA2MCHR1
SCHEMBL6673647 0.80 GAA (0.57) HDAC3HDAC6NCOR2CA2MLYCD
SCHEMBL6982345 0.77 CA2 (0.48) HDAC3CA2MCHR1MLYCDEPHX2
SCHEMBL507116 0.77 HDAC3 (0.54) HDAC3HDAC6NCOR2CA2MCHR1
SCHEMBL13009911 0.77 HDAC6 (0.68) HDAC3HDAC6NCOR2CA2MCHR1
SCHEMBL7119894 0.75 HDAC6 (0.66) HDAC3HDAC6NCOR2CA2TPSAB1
SCHEMBL23254636 0.74 CYP1A2 (0.68) HDAC3HDAC6NCOR2CA2MCHR1
SCHEMBL13461011 0.74 HDAC3 (0.63) HDAC3HDAC6NCOR2CA2MCHR1
SCHEMBL4411013 0.73 HDAC3 (0.73) HDAC3HDAC6NCOR2CA2MCHR1
SCHEMBL8404664 0.73 HDAC3 (0.61) HDAC3HDAC6NCOR2CA2MCHR1

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 HDAC3 694/4885HDAC6 1861/4885NCOR2 191/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HDAC3 1457/4885HDAC6 2510/4885NCOR2 553/4885

“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.