SCHEMBL4004199

SCHEMBL4004199

Cc1cc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)n(C)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.57
DRD4 P21917 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DRD2 P14416 6/20 0.48
HTR2A P28223 4/20 0.48
PANK3 Q9H999 1/20 0.47
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
RECQL P46063 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4008723 0.83 ALDH1A1 (0.66) HSD11B1DRD4KDM4EALDH1A1TDP1
SCHEMBL4010510 0.83 HSD11B1 (0.62) HSD11B1DRD4KDM4EALDH1A1TDP1
SCHEMBL4003927 0.82 DRD4 (0.73) HSD11B1DRD4ALDH1A1DRD2DRD3
SCHEMBL4004525 0.81 HSD11B1 (0.60) HSD11B1DRD4ALDH1A1DRD2HTR2A
SCHEMBL4008918 0.81 HSD11B1 (0.62) HSD11B1DRD4KDM4EALDH1A1DRD2
SCHEMBL4003800 0.81 HSD11B1 (0.57) HSD11B1DRD4KDM4EALDH1A1TDP1
SCHEMBL4006346 0.81 HSD11B1 (0.64) HSD11B1DRD4KDM4EALDH1A1DRD2
SCHEMBL4005357 0.80 HSD11B1 (0.60) HSD11B1DRD4PANK3MEN1KMT2A
SCHEMBL4006362 0.79 DRD4 (0.58) HSD11B1DRD4KDM4EALDH1A1TDP1
SCHEMBL4005489 0.78 HSD11B1 (0.59) HSD11B1DRD4ALDH1A1DRD2DRD3

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 HSD11B1 552/4885DRD4 1497/4885KDM4E 2903/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HSD11B1 552/4885DRD4 1497/4885KDM4E 2903/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 HSD11B1 804/4885DRD4 1334/4885KDM4E 2613/4885

“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.