SCHEMBL507250

SCHEMBL507250

NCc1ccc(C(=O)NCc2ccc(F)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ADORA2A P29274 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
LMNA P02545 2/20 0.46
NAMPT P43490 1/20 0.46
KLKB1 P03952 3/20 0.46
MLLT1 Q03111 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK14 Q16539 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
KLK1 P06870 1/20 0.42
CA2 P00918 1/20 0.42
STAMBP O95630 1/20 0.42
COPS5 Q92905 1/20 0.42
MIF P14174 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
SCHEMBL506192 0.84 LSS (0.48) HDAC3HDAC6NCOR2NAMPTMAPK14
SCHEMBL506163 0.78 LMNA (0.70) L3MBTL1LMNASMN1; SMN2CYP3A4MAPK14
SCHEMBL506687 0.77 HDAC6 (0.47) L3MBTL1ADORA2AHDAC3HDAC6NCOR2
SCHEMBL21921823 0.77 VNN1 (0.50) L3MBTL1LMNANAMPTMIF
SCHEMBL30946805 0.76 ADORA2A (0.46) ADORA2ANAMPTKLKB1SMN1; SMN2POLB
SCHEMBL7119894 0.76 HDAC6 (0.66) HDAC3HDAC6NCOR2MLLT1CA2
SCHEMBL15173772 0.75 ADORA2A (0.44) ADORA2ANAMPTSMN1; SMN2NPC1POLB
SCHEMBL12444447 0.74 L3MBTL1 (0.57) L3MBTL1LMNASMN1; SMN2CYP3A4MAPK14
SCHEMBL18324343 0.74 NAMPT (0.71) NAMPT
SCHEMBL14738211 0.73 NPSR1 (0.51) ADORA2ASMN1; SMN2

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 L3MBTL1 3221/4885ADORA2A 104/4885HDAC3 694/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A L3MBTL1 3191/4885ADORA2A 38/4885HDAC3 1457/4885

“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.