SCHEMBL4007325

SCHEMBL4007325

N#Cc1ccccc1N1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.71
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP1A2 P05177 1/20 0.64
RECQL P46063 1/20 0.64
ALDH1A1 P00352 6/20 0.60
CYP2C9 P11712 1/20 0.60
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GAA P10253 4/20 0.54
MAPT P10636 4/20 0.54
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
GFER P55789 1/20 0.50

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
SCHEMBL4005103 0.86 CYP2D6 (0.58) DRD4CYP2D6CYP2C19CYP1A2RECQL
SCHEMBL4005956 0.84 DRD4 (0.78) DRD4ALDH1A1KMT2AGAAMAPT
SCHEMBL4004582 0.84 DRD4 (0.77) DRD4ALDH1A1MEN1KMT2AGAA
SCHEMBL4010603 0.83 DRD4 (1.00) DRD4CYP2D6CYP1A2ALDH1A1DRD2
SCHEMBL3260049 0.80 CYP2D6 (0.95) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL3207575 0.79 CYP2D6 (0.97) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL4003426 0.79 DRD2 (0.71) DRD4CYP2D6CYP2C19CYP1A2RECQL
SCHEMBL3211290 0.77 CYP2D6 (0.76) CYP2D6CYP2C19CYP1A2RECQLALDH1A1
SCHEMBL4005101 0.77 DRD4 (1.00) DRD4ALDH1A1MEN1KMT2AGAA
SCHEMBL4009628 0.76 DRD4 (0.70) DRD4ALDH1A1MEN1KMT2AMAPT

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
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
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-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 (3 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 1497/4885CYP2D6 1280/4885CYP2C19 567/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885CYP2D6 1280/4885CYP2C19 567/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD4 1334/4885CYP2D6 1250/4885CYP2C19 419/4885

“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.