SCHEMBL5458949

SCHEMBL5458949

CC(C)(C)OC(=O)N1CCc2ccc(C3CCNCC3)cc2CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
NR1H2 P55055 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
DDB1 Q16531 2/20 0.48
CRBN Q96SW2 2/20 0.48
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
PDE4B Q07343 1/20 0.43
JAK1 P23458 1/20 0.42
GPR119 Q8TDV5 5/20 0.42
HTR6 P50406 2/20 0.42
DRD3 P35462 1/20 0.42
MAPK1 P28482 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40

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
SCHEMBL21326152 0.84 NR1H2 (0.67) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL29587827 0.84 NR1H2 (0.67) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL21326057 0.84 ESR2 (0.69) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL29587332 0.84 ESR2 (0.69) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL34461258 0.84 JAK1 (0.45) NPC1RAB9ADDB1CRBNNAMPT
SCHEMBL6671296 0.82 HRH3 (0.57) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL21800200 0.81 NAMPT (0.54) NPC1RAB9ADDB1CRBNNAMPT
SCHEMBL14441102 0.80 NR1H2 (0.55) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL5455775 0.80 GPR119 (0.52) NPC1RAB9AGPR119
SCHEMBL6673187 0.79 F10 (0.59) ESR2NR1H2NPC1RAB9AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 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 (1 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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B ESR2 573/4885NR1H2 107/4885NPC1 804/4885

“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.