SCHEMBL4004066

SCHEMBL4004066

O=C(NCN1CC=C(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.48
DRD2 P14416 3/20 0.48
DRD4 P21917 3/20 0.48
HTR1A P08908 2/20 0.46
CETP P11597 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
NAMPT P43490 1/20 0.43
CCR2 P41597 2/20 0.43
TP53 P04637 2/20 0.43
PRMT5 O14744 3/20 0.42
WDR77 Q9BQA1 3/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4002339 0.87 DRD4 (0.50) DRD2DRD4HTR1ANAMPTPRMT5
SCHEMBL4003835 0.86 DRD4 (0.64) DRD2DRD4HTR1AALDH1A1PRMT5
SCHEMBL4010998 0.85 DRD4 (0.53) DRD2DRD4HTR1APOLBPRMT5
SCHEMBL4321489 0.84 DRD4 (0.47) DRD2DRD4HTR1APRMT5WDR77
SCHEMBL4005468 0.84 HTR1A (0.49) DRD2DRD4HTR1APRMT5WDR77
SCHEMBL4002955 0.83 DRD4 (0.54) DRD2DRD4HTR1APRMT5WDR77
SCHEMBL4006656 0.83 DRD4 (0.55) DRD2DRD4
SCHEMBL4000687 0.82 DRD4 (0.49) DRD2DRD4HTR1APRMT5WDR77
SCHEMBL4005310 0.80 DRD4 (0.49) DRD2DRD4HTR1APRMT5WDR77
SCHEMBL4006338 0.80 LMNA (0.63) DRD2DRD4ALDH1A1POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 TLR7 4475/4885DRD2 1644/4885DRD4 1497/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 TLR7 4475/4885DRD2 1644/4885DRD4 1497/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 TLR7 4484/4885DRD2 1439/4885DRD4 1334/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 TLR7 4475/4885DRD2 1644/4885DRD4 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.