SCHEMBL4006700

SCHEMBL4006700

Cc1ccccc1C(=O)NCN1CCN(c2cccc(C#N)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.53
DRD3 P35462 11/20 0.51
DRD4 P21917 8/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HTR2A P28223 1/20 0.50
THPO P40225 1/20 0.50
HIF1A Q16665 1/20 0.50
KCNH2 Q12809 1/20 0.49
CHRM4 P08173 2/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
PMP22 Q01453 1/20 0.46
AR P10275 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
SCHEMBL4006407 0.83 DRD2 (0.69) DRD2DRD3DRD4KDM4EALDH1A1
SCHEMBL4005041 0.80 DRD4 (0.72) DRD2DRD3DRD4KDM4EALDH1A1
SCHEMBL4010456 0.75 DRD2 (0.53) DRD2DRD3DRD4KDM4EALDH1A1
SCHEMBL5577821 0.73 POLB (0.55) DRD2DRD3DRD4HTR2A
SCHEMBL18741393 0.72 DRD2 (0.78) DRD2DRD3DRD4KDM4E
SCHEMBL15800697 0.71 DRD2 (0.79) DRD2DRD3DRD4KDM4E
SCHEMBL5577377 0.70 LMNA (0.53) DRD2DRD3DRD4KDM4EALDH1A1
SCHEMBL19049593 0.70 DRD2 (0.59) DRD2DRD3CYP1A2HIF1ACHRM4
SCHEMBL3454084 0.70 DRD2 (1.00) DRD2DRD3CYP2D6
SCHEMBL6175980 0.70 DRD2 (0.74) DRD2DRD3DRD4KCNH2

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 1644/4885DRD3 1700/4885DRD4 1497/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD2 1644/4885DRD3 1700/4885DRD4 1497/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD2 1439/4885DRD3 1741/4885DRD4 1334/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD2 1644/4885DRD3 1700/4885DRD4 1497/4885

“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.