SCHEMBL506399

SCHEMBL506399

Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.73
RAB9A P51151 9/20 0.73
PLG P00747 4/20 0.62
KLK1 P06870 3/20 0.62
KLK6 Q92876 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MAPT P10636 2/20 0.62
PLAU P00749 2/20 0.60
PLAT P00750 1/20 0.57
KLKB1 P03952 1/20 0.57
PRSS1 P07477 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
SMYD3 Q9H7B4 1/20 0.56
CCR5 P51681 1/20 0.56
NAMPT P43490 2/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 2/20 0.54

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
SCHEMBL28288605 1.00 NPC1 (0.73) NPC1RAB9APLGKLK1KLK6
SCHEMBL24892329 0.91 PLAU (0.69) NPC1RAB9APLGKLK1KLK6
SCHEMBL28197185 0.87 PLAU (0.60) NPC1RAB9APLGSMN1; SMN2MAPT
SCHEMBL822378 0.86 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTHDAC6
SCHEMBL27181403 0.86 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTHDAC6
SCHEMBL12310125 0.86 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTHDAC6
SCHEMBL15214321 0.86 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTHDAC6
SCHEMBL14580374 0.86 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTHDAC6
SCHEMBL15650846 0.85 POLB (0.76) NPC1RAB9APLGSMN1; SMN2MAPT
SCHEMBL8361567 0.85 NPC1 (0.76) NPC1RAB9APLGSMN1; SMN2MAPT

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 NPC1 2664/4885RAB9A 3673/4885PLG 4566/4885
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 1649/4885PLG 4533/4885

“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.