SCHEMBL4009641

SCHEMBL4009641

N#Cc1cccnc1N1CCN(CNC(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
DRD4 P21917 7/20 0.49
HTR2A P28223 2/20 0.48
HSD11B1 P28845 3/20 0.48
DRD3 P35462 4/20 0.46
LDHA P00338 1/20 0.46
KDM4E B2RXH2 3/20 0.46
RECQL P46063 1/20 0.45
RBP4 P02753 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 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
SCHEMBL4010497 0.85 DRD2 (0.55) DRD2DRD4HTR2AHSD11B1DRD3
SCHEMBL4010456 0.85 DRD2 (0.53) DRD2DRD4HTR2AHSD11B1DRD3
SCHEMBL4006923 0.83 DRD4 (0.71) DRD2DRD4HTR2AHSD11B1DRD3
SCHEMBL4005288 0.81 MAPK1 (0.70) DRD2DRD4HTR2AHSD11B1LDHA
SCHEMBL4003404 0.78 DRD2 (0.72) DRD2DRD4HTR2AHSD11B1DRD3
SCHEMBL4010858 0.78 DRD4 (0.56) DRD2DRD4HTR2AHSD11B1DRD3
SCHEMBL4011209 0.76 DRD4 (0.73) DRD2DRD4HTR2AHSD11B1DRD3
SCHEMBL4010504 0.75 MAPK1 (0.58) DRD2DRD4HTR2AHSD11B1LDHA
SCHEMBL7241999 0.73 KDM4E (0.64) DRD2DRD4HTR2AHSD11B1KDM4E
SCHEMBL15638908 0.73 ALDH1A1 (0.41) RECQLALDH1A1

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 DRD2 1644/4885DRD4 1497/4885HTR2A 1701/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD2 1644/4885DRD4 1497/4885HTR2A 1701/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD2 1439/4885DRD4 1334/4885HTR2A 1385/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD2 1644/4885DRD4 1497/4885HTR2A 1701/4885

“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.