SCHEMBL4004690

SCHEMBL4004690

O=C(CN1CCC(c2ccccn2)CC1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.67
ALDH1A1 P00352 1/20 0.60
DRD4 P21917 8/20 0.60
DRD2 P14416 2/20 0.59
DRD3 P35462 2/20 0.59
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TAAR1 Q96RJ0 1/20 0.52
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 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
SCHEMBL4005935 0.84 DRD4 (0.72) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL3454332 0.82 ALDH1A1 (0.71) MAPK1ALDH1A1DRD4MEN1KMT2A
SCHEMBL4009614 0.81 KMT2A (0.60) ALDH1A1DRD4DRD2DRD3MEN1
SCHEMBL4003888 0.81 DRD4 (0.71) ALDH1A1DRD4DRD2DRD3MEN1
SCHEMBL4004192 0.81 MAPK1 (0.80) MAPK1ALDH1A1DRD4DRD2DRD3
SCHEMBL4004643 0.81 DRD4 (0.73) ALDH1A1DRD4DRD2DRD3LMNA
SCHEMBL4004216 0.80 DRD4 (0.63) DRD4DRD2DRD3POLB
SCHEMBL3999418 0.80 HTT (0.61) MAPK1ALDH1A1DRD4DRD2DRD3
SCHEMBL6213269 0.79 DRD4 (0.75) MAPK1ALDH1A1DRD4DRD2DRD3
SCHEMBL4003996 0.79 DRD4 (0.69) ALDH1A1DRD4DRD2DRD3LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US claimed
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 MAPK1 2344/4885ALDH1A1 88/4885DRD4 1497/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MAPK1 2344/4885ALDH1A1 88/4885DRD4 1497/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 MAPK1 3775/4885ALDH1A1 193/4885DRD4 1334/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MAPK1 2344/4885ALDH1A1 88/4885DRD4 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.