SCHEMBL506708

SCHEMBL506708

O=C(NC1CCCCC1)c1ccc(CCl)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 3/20 0.63
KDM4E B2RXH2 1/20 0.60
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
CXCR4 P61073 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
EPHX1 P07099 1/20 0.54
HDAC1 Q13547 1/20 0.54
HSD11B1 P28845 1/20 0.53

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
SCHEMBL28502347 0.98 KDM4E (0.62) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL3388373 0.92 RAB9A (0.57) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL2024298 0.92 RAB9A (0.57) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL126657 0.86 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL520877 0.86 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL28928584 0.86 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL7443737 0.85 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL123652 0.84 NPC1 (0.79) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL4598068 0.84 NPC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL13766441 0.84 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HPGDCYP1A2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250150-B Peptide ketone compound and preparation method and application thereof 兰州大学 2020-12-29 CN 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
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
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-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-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-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
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
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 NPC1 2664/4885RAB9A 3673/4885SMN1; 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 NPC1 3189/4885RAB9A 1649/4885SMN1; 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.