SCHEMBL7103607

SCHEMBL7103607

Nc1cccc2c1CCCC2c1c[nH]cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.59
GID4 Q8IVV7 1/20 0.37
HSD17B2 P37059 1/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1A P35348 4/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1B P35368 2/20 0.35
RGS12 O14924 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR2A P28223 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8865796 0.85 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1ASLC6A2
SCHEMBL8865410 0.84 ADRA2A (0.59) ADRA2AHSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL7608212 0.84 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1D
Hydrochloric Acid SCHEMBL8865395 0.83 ADRA2A (0.57) ADRA2AHSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL8865236 0.82 ADRA1A (0.51) ADRA2AADRA1AADRA1DADRA1B
SCHEMBL8986429 0.80 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL7097683 0.79 ADRA1A (0.40) ADRA2AADRA1A
SCHEMBL769063 0.79 ADRA1A (0.55) ADRA2AGID4ADRA2BADRA2CADRA1A
SCHEMBL7548274 0.78 ADRA2A (0.51) ADRA2AADRA1A
Hydrochloric Acid SCHEMBL8865343 0.78 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D

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 6 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-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO 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 8/4885GID4 1952/4885HSD17B2 3288/4885

“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.