SCHEMBL7098178

SCHEMBL7098178

COc1ccc2c(c1N)CCCC2c1cn(C(=O)OC(C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PDE4B Q07343 3/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
STS P08842 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA1A P35348 1/20 0.33
EHMT2 Q96KQ7 2/20 0.33
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
BACE1 P56817 1/20 0.33
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
KDM1A O60341 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL7102876 0.85 ADRA2A (0.41) DDB1CRBNALOX5APFEN1KDM1A
SCHEMBL7105189 0.85 PDE4B (0.34) PDE4BPDE4APDE4CPDE4DSTS
SCHEMBL7098514 0.83 SCN9A (0.36) DDB1CRBNPDE4BPDE4APDE4C
SCHEMBL7098219 0.83 DDB1 (0.39) DDB1CRBNALOX5APFEN1KDM1A
SCHEMBL7102182 0.80 ADRA1A (0.36) ADRA1A
SCHEMBL7098201 0.79 DDB1 (0.43) DDB1CRBNMEN1KMT2AALOX5AP
SCHEMBL7103274 0.77 ADRA1A (0.51) DDB1CRBNADRA1A
SCHEMBL7100855 0.77 KDM2B (0.35) ADRA1A
SCHEMBL7102066 0.77 STS (0.36) STSADRA1AEHMT2GPR119
SCHEMBL7098536 0.76 ADRA2A (0.51) ADRA1A

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 4 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
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 EP disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO 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 DDB1 2520/4885CRBN 3980/4885PDE4B 221/4885

“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.