SCHEMBL4005489

SCHEMBL4005489

N#Cc1cccc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.59
DRD4 P21917 5/20 0.57
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
DPP4 P27487 1/20 0.52
ATM Q13315 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LDHA P00338 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDR P35968 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4006268 0.89 ATM (0.66) HSD11B1DRD4DRD2DRD3ATM
SCHEMBL4005294 0.89 HSD11B1 (0.58) HSD11B1DRD4DRD2DRD3ATM
SCHEMBL4003927 0.89 DRD4 (0.73) HSD11B1DRD4DRD2DRD3ALDH1A1
SCHEMBL4009693 0.89 MEN1 (0.66) HSD11B1DRD4DRD2DRD3ATM
SCHEMBL4006346 0.89 HSD11B1 (0.64) HSD11B1DRD4DRD2DRD3GAA
SCHEMBL4002637 0.87 DRD4 (0.56) HSD11B1DRD4DRD2DRD3ATM
SCHEMBL4004301 0.87 ALDH1A1 (0.67) HSD11B1DRD4MEN1KMT2ALDHA
SCHEMBL4008530 0.87 DRD4 (0.56) HSD11B1DRD4DRD2DRD3ATM
SCHEMBL4002222 0.87 DRD4 (0.56) HSD11B1DRD4DRD2DRD3ATM
SCHEMBL4005103 0.86 CYP2D6 (0.58) HSD11B1DRD4DRD2DRD3ATM

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-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
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

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 HSD11B1 552/4885DRD4 1497/4885DRD2 1644/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HSD11B1 552/4885DRD4 1497/4885DRD2 1644/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 HSD11B1 804/4885DRD4 1334/4885DRD2 1439/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HSD11B1 552/4885DRD4 1497/4885DRD2 1644/4885

“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.