SCHEMBL5806592

SCHEMBL5806592

CCCCN1CCc2c(C=O)cccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
ALOX15 P16050 1/20 0.48
GRM5 P41594 3/20 0.46
HTT P42858 3/20 0.42
DRD2 P14416 3/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.39
ABCB1 P08183 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL5810873 0.92 HTT (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5809501 0.86 HTT (0.54) ALDH1A1SMN1; SMN2KDM4EHPGDHTT
SCHEMBL5810628 0.83 DRD2 (0.43) ALDH1A1SMN1; SMN2GRM5HTTDRD2
SCHEMBL5839984 0.81 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5809369 0.79 POLB (0.48) ALDH1A1RAB9ASMN1; SMN2GRM5HTT
SCHEMBL5839987 0.77 GRM5 (0.44) ALDH1A1SMN1; SMN2GRM5HTTMEN1
SCHEMBL2995748 0.77 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5812457 0.77 DHPS (0.58) ALDH1A1SMN1; SMN2GRM5HTTMEN1
SCHEMBL5840112 0.76 GRM5 (0.47) ALDH1A1SMN1; SMN2GRM5HTTMEN1
SCHEMBL2992351 0.75 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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-7144894-B2 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
WO-2006034480-A2 SULFONAMIDE BICYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO disclosed
US-20060063799-A1 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 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-20060063799-A1 Sulfonamide bicyclic compounds APP, BACE1, IAPP ALDH1A1 2585/4885NPC1 491/4885RAB9A 2629/4885

“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.