SCHEMBL4005568

SCHEMBL4005568

O=C(NCN1CCC(c2ccccn2)CC1)c1ccc(F)c(F)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.71
DRD2 P14416 5/20 0.71
DRD3 P35462 3/20 0.47
AR P10275 1/20 0.46
ADRA1A P35348 3/20 0.45
MCHR1 Q99705 1/20 0.45
PLD2 O14939 1/20 0.44
PLD1 Q13393 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL4003763 0.85 DRD4 (0.77) DRD4DRD2DRD3
SCHEMBL4005966 0.83 DRD4 (1.00) DRD4DRD2DRD3ADRA1AADRA1D
SCHEMBL4006660 0.83 DRD4 (0.84) DRD4DRD2DRD3ADRA1AADRA1D
SCHEMBL4006239 0.82 DRD2 (0.73) DRD4DRD2
SCHEMBL6210502 0.81 DRD4 (0.68) DRD4DRD2DRD3
SCHEMBL6216990 0.81 DRD4 (0.65) DRD4DRD2DRD3ADRA1AADRA1D
SCHEMBL4004571 0.80 DRD4 (0.70) DRD4DRD2DRD3MCHR1
SCHEMBL4321489 0.76 DRD4 (0.47) DRD4DRD2
SCHEMBL4011088 0.74 DRD4 (0.59) DRD4DRD2DRD3ADRA1AADRA1D
SCHEMBL6215309 0.73 DRD4 (0.66) DRD4DRD2DRD3ADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US claimed
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP claimed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US claimed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US claimed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO claimed
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 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 (4 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885DRD2 1644/4885DRD3 1700/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885DRD2 1644/4885DRD3 1700/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD4 1334/4885DRD2 1439/4885DRD3 1741/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885DRD2 1644/4885DRD3 1700/4885

“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.