Abt-724

Abt-724

SCHEMBL6325676

O.O.O=P(O)(O)O.O=P(O)(O)O.c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Abt-724. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 known ✓ P41145 1/20 0.83
DRD4 P21917 18/20 0.85
DRD2 P14416 2/20 0.85
KDM4E B2RXH2 1/20 0.83
ALDH1A1 P00352 1/20 0.83
CYP3A4 P08684 1/20 0.83
ALOX15 P16050 1/20 0.83
SIGMAR1 Q99720 1/20 0.83
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57

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
Abt-724 SCHEMBL1448486 0.92 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1CYP3A4
Abt-724 SCHEMBL29406160 0.92 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1CYP3A4
Abt-724 SCHEMBL6317285 0.91 DRD4 (0.85) DRD4DRD2KDM4EALDH1A1CYP3A4
Abt-724 SCHEMBL29634880 0.91 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1CYP3A4
Abt-724 SCHEMBL6316908 0.91 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1CYP3A4
Abt-724 SCHEMBL4807347 0.87 DRD4 (0.81) DRD4DRD2KDM4EALDH1A1CYP3A4
Abt-724 SCHEMBL4807361 0.87 DRD4 (0.81) DRD4DRD2KDM4EALDH1A1CYP3A4
Abt-724 SCHEMBL6551097 0.86 DRD4 (0.80) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL6096279 0.80 DRD4 (0.76) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL4809160 0.80 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960589-B2 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2005-11-01 US disclosed
EP-1483258-A1 BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION Abbott Laboratories (US) 2004-12-08 EP disclosed
US-20040127504-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-07-01 US disclosed
WO-2003076431-A1 BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-09-18 WO disclosed
US-20030162790-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2003-08-28 US 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 (2 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-20040127504-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 OPRK1 964/4885DRD4 2278/4885DRD2 2231/4885
US-20030162790-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 OPRK1 964/4885DRD4 2278/4885DRD2 2231/4885

“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.