SCHEMBL506838

SCHEMBL506838

NCc1ccc(C(=O)NCCc2cccs2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.71
RAB9A P51151 6/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
TAAR1 Q96RJ0 2/20 0.71
LMNA P02545 1/20 0.62
ALDH1A1 P00352 2/20 0.60
MAPT P10636 1/20 0.60
CYP1A2 P05177 1/20 0.56
BRD4 O60885 1/20 0.55
NAMPT P43490 2/20 0.55
MCHR1 Q99705 1/20 0.54
HPGD P15428 2/20 0.51
PSMD14 O00487 1/20 0.51
STAMBP O95630 1/20 0.51
COPS5 Q92905 1/20 0.51
ROCK2 O75116 1/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC1 Q13547 1/20 0.49
HSD11B1 P28845 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL507014 0.86 HPGD (0.70) RAB9ASMN1; SMN2ALDH1A1NAMPTHPGD
SCHEMBL31396767 0.86 RAB9A (0.74) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL5343669 0.85 NPC1 (0.73) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL2653237 0.84 RAB9A (0.76) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL10441846 0.83 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL2307879 0.83 RAB9A (0.74) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL12158613 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL10442013 0.83 NPC1 (0.74) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL12174596 0.83 NPC1 (0.74) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL10441735 0.82 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TAAR1LMNA

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 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.