SCHEMBL4009546

SCHEMBL4009546

Cc1cc(C(=O)NCN2CCN(c3ccccn3)CC2)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
SLC6A4 P31645 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
POLB P06746 2/20 0.54
DRD4 P21917 8/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
DRD2 P14416 4/20 0.50
DRD3 P35462 2/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL4011544 0.84 DRD4 (0.67) ALDH1A1SLC6A4DRD4DRD2DRD3
SCHEMBL4004278 0.82 ALDH1A1 (0.69) ALDH1A1SLC6A4KMT2AMEN1POLB
SCHEMBL4002378 0.82 DRD4 (0.69) ALDH1A1SLC6A4POLBDRD4DRD2
SCHEMBL7252529 0.81 HTR1A (0.54) ALDH1A1KMT2AMEN1POLBDRD4
SCHEMBL4002713 0.79 ALDH1A1 (0.63) ALDH1A1SLC6A4KMT2AMEN1DRD4
SCHEMBL4003974 0.79 DRD4 (0.68) ALDH1A1SLC6A4KMT2AMEN1POLB
SCHEMBL3999449 0.78 ALDH1A1 (0.60) ALDH1A1SLC6A4KMT2AMEN1POLB
SCHEMBL4000687 0.77 DRD4 (0.49) DRD4DRD2HTR1ASIGMAR1
SCHEMBL14761329 0.74 HTR1A (0.67) SLC6A4DRD4SMN1; SMN2DRD2DRD3
SCHEMBL4006809 0.74 DRD4 (0.76) SLC6A4KMT2AMEN1DRD4DRD2

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-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-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 (3 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 ALDH1A1 88/4885SLC6A4 2172/4885KMT2A 2169/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885SLC6A4 2172/4885KMT2A 2169/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 ALDH1A1 193/4885SLC6A4 1698/4885KMT2A 1792/4885

“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.