SCHEMBL4004582

SCHEMBL4004582

N#Cc1ccccc1N1CCN(CC(=O)Nc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.77
ALDH1A1 P00352 4/20 0.60
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
GFER P55789 1/20 0.60
ME2 P23368 1/20 0.60
ME1 P48163 1/20 0.60
ME3 Q16798 1/20 0.60
DRD2 P14416 1/20 0.59
REV1 Q9UBZ9 1/20 0.58
THRB P10828 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KCNA5 P22460 1/20 0.57
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL4005956 0.88 DRD4 (0.78) DRD4ALDH1A1MAPTGAAGFER
SCHEMBL4010603 0.87 DRD4 (1.00) DRD4ALDH1A1DRD2KDM4E
SCHEMBL4007325 0.84 DRD4 (0.71) DRD4ALDH1A1MAPTGAAGFER
SCHEMBL4006346 0.83 HSD11B1 (0.64) DRD4ALDH1A1MAPTGAAGFER
SCHEMBL4005101 0.82 DRD4 (1.00) DRD4ALDH1A1MAPTGAAGFER
SCHEMBL6893687 0.82 ALDH1A1 (0.79) ALDH1A1ME2ME1ME3REV1
SCHEMBL27597061 0.80 DRD4 (0.59) DRD4ALDH1A1MAPTGAAGFER
SCHEMBL28233625 0.79 ALDH1A1 (0.61) ALDH1A1ME2ME1ME3REV1
SCHEMBL14192211 0.77 ALDH1A1 (0.72) ALDH1A1ME2ME1ME3REV1
SCHEMBL11147683 0.76 ALDH1A1 (0.90) ALDH1A1THRBKDM4ENPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 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
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP 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
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 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 (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 1497/4885ALDH1A1 88/4885MAPT 3896/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885ALDH1A1 88/4885MAPT 3896/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD4 1334/4885ALDH1A1 193/4885MAPT 3453/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885ALDH1A1 88/4885MAPT 3896/4885

“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.