SCHEMBL7097683

SCHEMBL7097683

COc1ccc2c(c1N)CCCC2c1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.40
ADRA2A P08913 2/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP11B2 P19099 1/20 0.34
ACHE P22303 1/20 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
SCHEMBL8865462 0.87 PARP1 (0.43) ADRA1AADRA2ACA1CA2
SCHEMBL8865236 0.86 ADRA1A (0.51) ADRA1AADRA2ACA1CA2CYP11B2
SCHEMBL7511068 0.80 ADRA1A (0.36) ADRA1AADRA2ACA1CA2CYP11B2
SCHEMBL7102182 0.80 ADRA1A (0.36) ADRA1AADRA2ACA1CA2ACHE
SCHEMBL7101744 0.79 ADRA2A (0.48) ADRA1AADRA2ACA1CA2
SCHEMBL8866074 0.79 ADRA1A (0.45) ADRA1AADRA2ACYP11B2
SCHEMBL7103607 0.79 ADRA2A (0.59) ADRA1AADRA2A
Hydrochloric Acid SCHEMBL7104810 0.79 ADRA2A (0.48) ADRA1AADRA2ACA1CA2
SCHEMBL8865796 0.77 ADRA2A (0.49) ADRA1AADRA2A
SCHEMBL8865794 0.76 ADRA1A (0.37) 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 ADRA1A 3/4885ADRA2A 8/4885CA1 2378/4885

“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.