SCHEMBL7101986

SCHEMBL7101986

CCCn1cnc(C2CCCc3c2ccc(OC)c3N)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
DRD2 P14416 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
SCHEMBL7100855 0.92 KDM2B (0.35) HTR1AADRA1AADRA1DADRA1BSIGMAR1
SCHEMBL7102182 0.86 ADRA1A (0.36) HTR1AADRA1AADRA1DADRA1BSIGMAR1
SCHEMBL7103401 0.82 ADRA2A (0.42) ADRA1ACA1CA2
SCHEMBL7097683 0.76 ADRA1A (0.40) ADRA1ACA1CA2
SCHEMBL7098178 0.75 DDB1 (0.35) ADRA1A
SCHEMBL7098678 0.73 ADRA1A (0.43) ADRA1A
SCHEMBL7104921 0.73 ADRA1A (0.36) ADRA1ACA1CA2
SCHEMBL7102301 0.72 ADRA2A (0.56) ADRA1A
SCHEMBL7511068 0.70 ADRA1A (0.36) ADRA1ACA1CA2
SCHEMBL7098514 0.67 SCN9A (0.36) 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 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 HTR1A 73/4885ADRA1A 3/4885ADRA1D 1/4885

“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.