SCHEMBL4005201

SCHEMBL4005201

Cc1cccc(NC(=O)CN2CCN(c3cccc(O)c3)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 0.76
ALDH1A1 P00352 2/20 0.74
DRD2 P14416 6/20 0.67
DRD3 P35462 5/20 0.67
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
ATM Q13315 1/20 0.65
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
ME2 P23368 1/20 0.58
ME1 P48163 1/20 0.58
ME3 Q16798 1/20 0.58
ANXA2 P07355 1/20 0.57
S100A10 P60903 1/20 0.57
POLB P06746 1/20 0.56

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
SCHEMBL3999504 0.89 DRD4 (0.81) DRD4ALDH1A1DRD2DRD3MEN1
SCHEMBL4010981 0.89 MEN1 (0.81) DRD4ALDH1A1DRD2DRD3MEN1
SCHEMBL4002606 0.81 DRD4 (0.76) DRD4ALDH1A1DRD2DRD3MEN1
SCHEMBL17896859 0.81 ALDH1A1 (0.89) DRD4ALDH1A1DRD2DRD3ANXA2
SCHEMBL4005427 0.80 DRD4 (0.78) DRD4ALDH1A1DRD2DRD3MAPT
SCHEMBL4006615 0.80 DRD4 (1.00) DRD4ALDH1A1DRD2DRD3KDM4E
SCHEMBL4004877 0.79 DRD4 (0.76) DRD4ALDH1A1DRD2DRD3MEN1
SCHEMBL4008994 0.78 DRD4 (0.74) DRD4ALDH1A1DRD2DRD3MEN1
SCHEMBL4003501 0.78 ALDH1A1 (0.75) DRD4ALDH1A1DRD2DRD3MEN1
SCHEMBL17896865 0.78 ALDH1A1 (0.82) DRD4ALDH1A1DRD2DRD3LMNA

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 1497/4885ALDH1A1 88/4885DRD2 1644/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885ALDH1A1 88/4885DRD2 1644/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD4 1334/4885ALDH1A1 193/4885DRD2 1439/4885

“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.