SCHEMBL506324

SCHEMBL506324

NCc1ccc(C(=O)NCc2ncccc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.50
CNR2 P34972 1/20 0.48
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
ADORA1 P30542 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
MAPK1 P28482 1/20 0.43
KLKB1 P03952 1/20 0.43
SLC40A1 Q9NP59 5/20 0.43
MLLT1 Q03111 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
APOBEC3A P31941 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL507307 0.84 ADORA2A (0.51) ADORA2AHDAC6HDAC3NCOR2ADORA1
SCHEMBL18765386 0.83 ADORA2A (0.47) ADORA2ACNR2HDAC6ADORA1EGLN1
Hydrochloric Acid SCHEMBL18765075 0.79 ADORA2A (0.46) ADORA2ACNR2ADORA1SLC40A1
SCHEMBL18765084 0.78 KLKB1 (0.43) ADORA2ACNR2ADORA1KLKB1SLC40A1
SCHEMBL18765334 0.78 ADORA2A (0.49) ADORA2ACNR2ADORA1EGLN1MAPK1
SCHEMBL18765396 0.77 CARM1 (0.51) ADORA2ACNR2ADORA1MAPK1
SCHEMBL506163 0.77 LMNA (0.70) L3MBTL1NPC1RAB9ALMNAPOLB
SCHEMBL18782034 0.77 SLC40A1 (0.62) ADORA2ACNR2ADORA1KLKB1SLC40A1
SCHEMBL29505649 0.76 CNR2 (0.48) ADORA2ACNR2ADORA1MAPK1SLC40A1
Hydrochloric Acid SCHEMBL18765263 0.76 CARM1 (0.50) ADORA2ACNR2ADORA1MAPK1SLC40A1

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 ADORA2A 104/4885CNR2 75/4885HDAC6 1861/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ADORA2A 38/4885CNR2 108/4885HDAC6 2510/4885

“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.