SCHEMBL7102876

SCHEMBL7102876

CC(C)(C)OC(=O)n1cnc(C2CCCc3c(N)cccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HSD17B2 P37059 1/20 0.35
UCHL1 P09936 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
SCN9A Q15858 1/20 0.34
KDM1A O60341 1/20 0.33
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
HDAC1 Q13547 2/20 0.33

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
SCHEMBL7098219 0.97 DDB1 (0.39) ADRA2ADDB1CRBNHSD17B2UCHL1
SCHEMBL7098201 0.94 DDB1 (0.43) ADRA2ADDB1CRBNUCHL1GPR119
SCHEMBL7098178 0.85 DDB1 (0.35) DDB1CRBNGPR119KDM1AALOX5AP
SCHEMBL7103274 0.83 ADRA1A (0.51) ADRA2ADDB1CRBN
SCHEMBL7102018 0.82 ADRA2A (0.51) ADRA2A
SCHEMBL7098536 0.82 ADRA2A (0.51) ADRA2A
SCHEMBL7105189 0.82 PDE4B (0.34) GPR119
SCHEMBL7098169 0.81 DDB1 (0.34) DDB1CRBNGPR119SCN9AKDM1A
SCHEMBL7097659 0.80 ADRA2A (0.39) ADRA2ADDB1CRBNKDM1A
SCHEMBL7097246 0.79 ADRA2A (0.53) ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A ADRA2A 8/4885DDB1 2520/4885CRBN 3980/4885

“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.