SCHEMBL4004192

SCHEMBL4004192

O=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.80
POLB P06746 1/20 0.74
GAA P10253 2/20 0.71
KDM4E B2RXH2 2/20 0.71
ALDH1A1 P00352 7/20 0.68
MAPT P10636 3/20 0.68
LMNA P02545 2/20 0.68
TSHR P16473 1/20 0.68
KMT2A Q03164 6/20 0.68
MEN1 O00255 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
HSD17B10 Q99714 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
THRB P10828 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
HTT P42858 1/20 0.64
DRD2 P14416 2/20 0.61
DRD4 P21917 2/20 0.61
DRD3 P35462 1/20 0.60

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
SCHEMBL4010416 0.88 POLB (0.84) POLBGAAKDM4EALDH1A1MAPT
SCHEMBL4010491 0.83 KMT2A (0.77) POLBGAAKDM4EALDH1A1MAPT
SCHEMBL4003222 0.82 ALDH1A1 (0.79) POLBGAAKDM4EALDH1A1MAPT
SCHEMBL4005288 0.81 MAPK1 (0.70) MAPK1POLBGAAALDH1A1MAPT
SCHEMBL4004690 0.81 MAPK1 (0.67) MAPK1POLBGAAKDM4EALDH1A1
SCHEMBL4003722 0.80 KMT2A (1.00) POLBGAAALDH1A1MAPTLMNA
SCHEMBL6173210 0.80 ALDH1A1 (1.00) POLBKDM4EALDH1A1MAPTTSHR
SCHEMBL4008925 0.80 THRB (1.00) MAPK1POLBGAAKDM4EALDH1A1
SCHEMBL4005423 0.80 ALDH1A1 (1.00) MAPK1POLBGAAKDM4EALDH1A1
SCHEMBL4009985 0.79 POLB (0.80) POLBKDM4EALDH1A1MAPTLMNA

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 11 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-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 MAPK1 2344/4885POLB 3627/4885GAA 348/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MAPK1 2344/4885POLB 3627/4885GAA 348/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 MAPK1 3775/4885POLB 3383/4885GAA 229/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MAPK1 2344/4885POLB 3627/4885GAA 348/4885

“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.