SCHEMBL507445

SCHEMBL507445

NCc1ccc(C(=O)NCCc2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
GAA P10253 1/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
NAMPT P43490 2/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.56
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
MCHR1 Q99705 1/20 0.53
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
CA2 P00918 1/20 0.51
PARP1 P09874 1/20 0.50

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 0.86 LMNA (0.70) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6500425 0.86 RAB9A (0.65) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL483578 0.86 RAB9A (0.74) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL1394203 0.83 RAB9A (0.74) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL11666172 0.83 CNR1 (0.67) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL13947349 0.83 RAB9A (0.65) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL11627869 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL16838904 0.81 RAB9A (0.62) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL17886760 0.81 ALDH1A1 (0.73) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL3039047 0.81 RAB9A (0.62) RAB9ANPC1SMN1; SMN2GAAKMT2A

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 8 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
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO 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 RAB9A 3673/4885NPC1 2664/4885SMN1; SMN2 1853/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A RAB9A 1649/4885NPC1 3189/4885SMN1; SMN2 2954/4885

“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.