SCHEMBL2885219

SCHEMBL2885219

CC(C)(C)OC(=O)N1C[C@@H]2CN(c3nc4cc(-c5ccccc5)ccc4[nH]3)C[C@@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.46
BACE2 Q9Y5Z0 2/20 0.46
NAMPT P43490 1/20 0.45
HTR2B P41595 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
USP30 Q70CQ3 5/20 0.43
PDE10A Q9Y233 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 2/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL2885221 1.00 BACE1 (0.46) BACE1BACE2NAMPTHTR2BOPRM1
SCHEMBL2885222 0.92 BACE1 (0.52) BACE1BACE2NAMPTHTR2BOPRM1
SCHEMBL19400804 0.78 HPGDS (0.58) HTR2BUSP30
SCHEMBL2886640 0.76 HTR2B (0.40) HTR2BPDE10A
SCHEMBL2881815 0.76 HTR2B (0.40) HTR2BPDE10A
Hydrochloric Acid SCHEMBL2885606 0.75 PDE10A (0.45) HTR2BPDE10A
Hydrochloric Acid SCHEMBL2885610 0.75 PDE10A (0.45) HTR2BPDE10A
SCHEMBL6324537 0.74 PDE10A (0.52) USP30PDE10AHDAC1
SCHEMBL19400821 0.72 PRCP (0.52) USP30
SCHEMBL19400826 0.72 PRCP (0.52) USP30

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-7691860-B2 Sulfonamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives MSD K.K. (JP) 2008-07-03 US disclosed
EP-1719765-A1 NOVEL SULFONE AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP 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-20080161326-A1 Novel Sulfone Amide Amide Derivatives NPY1R, NPY2R, NPY5R BACE1 1290/4885BACE2 2382/4885NAMPT 2829/4885

“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.