SCHEMBL7104848

SCHEMBL7104848

CCS(=O)(=O)Nc1ccc(Cl)c2c1CCC=C2c1c[nH]cn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.33
ADRA1A P35348 1/20 0.33
BRD4 O60885 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL7101523 0.89 ADRA1A (0.31) ADRA2AADRA1A
SCHEMBL7103403 0.78 ADRA2A (0.33) ADRA2AADRA1A
SCHEMBL7100952 0.75 KMO (0.31)
SCHEMBL7103524 0.70 ADRA2A (0.46) ADRA2AADRA1A
SCHEMBL7098572 0.70 ADRA1A (0.38) ADRA2AADRA1A
SCHEMBL7102388 0.67 PTGES2 (0.38) ADRA2ABRD4
SCHEMBL7097248 0.63 S100A9 (0.37) ADRA2AADRA1ABRD4DRD2
SCHEMBL7100769 0.62 ADRA2A (0.65) ADRA2AADRA1ADRD2DRD1
SCHEMBL27624078 0.62 HPGD (0.36) ADRA2AADRA1A
SCHEMBL7101250 0.62 ADRA2A (0.46) ADRA2AADRA1A

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 ADRA2A 8/4885ADRA1A 3/4885BRD4 26/4885

“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.