SCHEMBL7098514

SCHEMBL7098514

COc1ccc2c(c1N)CCCC2c1cn(C(=O)OC(C)(C)C)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN5A Q14524 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PDE4B Q07343 4/20 0.34
EHMT2 Q96KQ7 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA1A P35348 1/20 0.33
KDM1A O60341 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
STS P08842 1/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL7102229 0.84 ADRA2A (0.40) EHMT2MEN1KMT2AADRA1ASTS
SCHEMBL7098178 0.83 DDB1 (0.35) DDB1CRBNPDE4BEHMT2PDE4A
SCHEMBL7511068 0.71 ADRA1A (0.36) ADRA1A
SCHEMBL7102182 0.71 ADRA1A (0.36) ADRA1APARP1
SCHEMBL7100855 0.69 KDM2B (0.35) ADRA1A
SCHEMBL7102876 0.68 ADRA2A (0.41) SCN9ADDB1CRBNKDM1A
SCHEMBL7105189 0.68 PDE4B (0.34) PDE4BEHMT2PDE4APDE4CPDE4D
SCHEMBL7097683 0.68 ADRA1A (0.40) ADRA1A
SCHEMBL7098219 0.65 DDB1 (0.39) SCN9ADDB1CRBNKDM1A
SCHEMBL7101753 0.63 SMARCA2 (0.38) SCN9ASCN3ASCN5AHSP90AA1HSP90AB1

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 SCN9A 683/4885SCN3A 418/4885SCN5A 435/4885

“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.