SCHEMBL507870

SCHEMBL507870

CC(Oc1ccc(C(N)=O)cc1)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.65
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
PARP15 Q460N3 5/20 0.54
NPSR1 Q6W5P4 1/20 0.51
PARP2 Q9UGN5 3/20 0.48
PARP4 Q9UKK3 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PARP1 P09874 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP16 Q8N5Y8 1/20 0.46
PARP11 Q9NR21 1/20 0.46
GRM2 Q14416 4/20 0.44

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
SCHEMBL6524872 0.92 PARP10 (0.71) PARP10SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL507936 0.86 KMT2A (0.64) PARP10SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL5317949 0.80 PARP10 (0.51) PARP10PARP15PARP2ALDH1A1
SCHEMBL2102012 0.79 PARP10 (1.00) PARP10SMN1; SMN2NPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL4963786 0.78 PARP10 (0.96) PARP10SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3850373 0.75 GRM2 (0.46) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6748807 0.75 GRM2 (0.46) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL14642220 0.75 PARP10 (0.60) PARP10NPC1RAB9APARP15PARP2
SCHEMBL11574352 0.74 PARP10 (0.75) PARP10PARP15PARP2PARP4CA1
SCHEMBL508168 0.74 GRM2 (0.52) SMN1; SMN2NPC1HPGDRAB9ANPSR1

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 PARP10 1496/4885SMN1; SMN2 1853/4885NPC1 2664/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PARP10 2916/4885SMN1; SMN2 2954/4885NPC1 3189/4885

“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.