SCHEMBL6801335

SCHEMBL6801335

CC(C)(C)OC(=O)/C=C/C1(c2ccccn2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GPR119 Q8TDV5 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC6A2 P23975 1/20 0.34
TBXAS1 P24557 1/20 0.34
CYP2C19 P33261 1/20 0.34
DRD3 P35462 1/20 0.34
OPRK1 P41145 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRM5 P41594 1/20 0.32

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
SCHEMBL6801337 1.00 HSD11B1 (0.38) HSD11B1GRIN1GRIN2AGRIN2BGPR119
SCHEMBL6203970 0.84 RAB9A (0.39) HSD11B1GRIN1GRIN2AGRIN2BHTT
SCHEMBL6203975 0.84 RAB9A (0.39) HSD11B1GRIN1GRIN2AGRIN2BHTT
SCHEMBL30264915 0.73 JAK2 (0.34) XPO1RXRARXRBRXRGJAK2
SCHEMBL24608781 0.71 HSD11B1 (0.42) HSD11B1GRIN1GRIN2AGRIN2BGPR119
SCHEMBL1256110 0.71 GRIN1 (0.50) HSD11B1GRIN1GRIN2AGRIN2BHTT
SCHEMBL1255067 0.71 GRIN1 (0.50) HSD11B1GRIN1GRIN2AGRIN2BHTT
SCHEMBL1253508 0.71 GRIN1 (0.50) HSD11B1GRIN1GRIN2AGRIN2BHTT
SCHEMBL1255604 0.71 GRIN1 (0.50) HSD11B1GRIN1GRIN2AGRIN2BHTT
SCHEMBL28341507 0.71 GPR119 (0.47) GPR119CYP3A4CYP2C19OPRK1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR HSD11B1 602/4885GRIN1 780/4885GRIN2A 1010/4885

“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.