SCHEMBL506687

SCHEMBL506687

NCc1ccc(C(=O)NCc2cccc(F)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
ADORA2A P29274 1/20 0.47
HDAC1 Q13547 3/20 0.46
MLLT1 Q03111 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA2 P00918 1/20 0.43
KLKB1 P03952 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2C P28335 1/20 0.43
WDR5 P61964 1/20 0.42
MCHR1 Q99705 1/20 0.42
CFD P00746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL506163 0.79 LMNA (0.70) NPC1LMNAPOLBRAB9AL3MBTL1
SCHEMBL507250 0.77 L3MBTL1 (0.49) HDAC6HDAC3NCOR2ADORA2AMLLT1
SCHEMBL7119894 0.77 HDAC6 (0.66) HDAC6HDAC3NCOR2HDAC1MLLT1
SCHEMBL506656 0.74 HDAC6 (0.70) HDAC6HDAC3HDAC1LMNAPOLB
SCHEMBL15745622 0.74 NPSR1 (0.77) ADORA2ANPC1RAB9ANPSR1
SCHEMBL4925434 0.73 CFD (0.62) HDAC6HDAC3NCOR2HDAC1CA2
SCHEMBL506324 0.73 ADORA2A (0.50) HDAC6HDAC3NCOR2ADORA2AMLLT1
SCHEMBL506192 0.72 LSS (0.48) HDAC6HDAC3NCOR2HDAC1NAMPT
SCHEMBL26790235 0.72 NPSR1 (0.53) ADORA2ALMNAPOLBRAB9ANPSR1
SCHEMBL507014 0.71 HPGD (0.70) HDAC6POLBRAB9AKLKB1NAMPT

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