SCHEMBL4005072

SCHEMBL4005072

Cc1cccnc1C1=CCN(CNC(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.47
DRD4 P21917 6/20 0.47
DRD3 P35462 5/20 0.47
GRM5 P41594 1/20 0.43
HTR1A P08908 4/20 0.42
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
SLC6A9 P48067 1/20 0.39

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
SCHEMBL4005802 0.91 DRD4 (0.54) DRD2DRD4DRD3HTR1AALDH1A1
SCHEMBL4002935 0.89 DRD4 (0.45) DRD2DRD4DRD3HTR1AALDH1A1
SCHEMBL4002541 0.87 DRD4 (0.48) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL4010998 0.84 DRD4 (0.53) DRD2DRD4DRD3HTR1ASLC6A9
SCHEMBL4011618 0.83 HTR1A (0.46) DRD2DRD4DRD3HTR1AMEN1
SCHEMBL4010506 0.82 MAPK1 (0.41) DRD2DRD4HTR1AKMT2ASLC6A9
SCHEMBL4009673 0.80 DRD4 (0.58) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL6239310 0.78 DRD2 (0.46) DRD2DRD4DRD3HTR1AALDH1A1
SCHEMBL4003835 0.77 DRD4 (0.64) DRD2DRD4DRD3HTR1AALDH1A1
SCHEMBL4000687 0.76 DRD4 (0.49) DRD2DRD4HTR1A

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
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
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

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 DRD2 1644/4885DRD4 1497/4885DRD3 1700/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD2 1644/4885DRD4 1497/4885DRD3 1700/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD2 1439/4885DRD4 1334/4885DRD3 1741/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD2 1644/4885DRD4 1497/4885DRD3 1700/4885

“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.