SCHEMBL4003587

SCHEMBL4003587

N#Cc1cccnc1N1CCN(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
HSD11B1 P28845 1/20 0.54
MALT1 Q9UDY8 1/20 0.54
TP53 P04637 2/20 0.50
LDHA P00338 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DRD4 P21917 2/20 0.48
MAPK1 P28482 1/20 0.48
AR P10275 2/20 0.47
PANK3 Q9H999 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL4006362 0.87 DRD4 (0.58) ALDH1A1HSD11B1MALT1DRD4PANK3
SCHEMBL4007480 0.87 MALT1 (0.70) MAPTLMNAALDH1A1GAAHSD11B1
SCHEMBL4001787 0.86 HSD11B1 (0.58) LMNAALDH1A1HSD11B1LDHAHSD17B10
SCHEMBL4004301 0.85 ALDH1A1 (0.67) MAPTLMNAALDH1A1HSD11B1LDHA
SCHEMBL4002344 0.85 HSD11B1 (0.61) MAPTLMNAALDH1A1HSD11B1MALT1
SCHEMBL4009693 0.84 MEN1 (0.66) MAPTLMNAALDH1A1HSD11B1MALT1
SCHEMBL4004606 0.84 HSD11B1 (0.54) MAPTLMNAALDH1A1HSD11B1LDHA
SCHEMBL4010210 0.84 ALDH1A1 (0.55) MAPTLMNAALDH1A1HSD11B1MALT1
SCHEMBL4005288 0.83 MAPK1 (0.70) MAPTLMNAALDH1A1GAAHSD11B1
SCHEMBL4010504 0.83 MAPK1 (0.58) MAPTLMNAALDH1A1GAAHSD11B1

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 MAPT 3896/4885LMNA 4331/4885ALDH1A1 88/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MAPT 3896/4885LMNA 4331/4885ALDH1A1 88/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 MAPT 3453/4885LMNA 4410/4885ALDH1A1 193/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MAPT 3896/4885LMNA 4331/4885ALDH1A1 88/4885

“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.