SCHEMBL4008530

SCHEMBL4008530

CC(C)(C)c1cccc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.56
HSD11B1 P28845 1/20 0.55
LDHA P00338 1/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TRPV1 Q8NER1 1/20 0.54
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
KDR P35968 1/20 0.49
PANK3 Q9H999 1/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL4004301 0.91 ALDH1A1 (0.67) DRD4HSD11B1LDHAALDH1A1LMNA
SCHEMBL4003927 0.88 DRD4 (0.73) DRD4HSD11B1ALDH1A1DRD2DRD3
SCHEMBL4005489 0.87 HSD11B1 (0.59) DRD4HSD11B1LDHAALDH1A1LMNA
SCHEMBL4009693 0.86 MEN1 (0.66) DRD4HSD11B1LDHAALDH1A1LMNA
SCHEMBL4006268 0.86 ATM (0.66) DRD4HSD11B1LDHAALDH1A1LMNA
SCHEMBL4005294 0.86 HSD11B1 (0.58) DRD4HSD11B1DRD2DRD3KDR
SCHEMBL4006346 0.85 HSD11B1 (0.64) DRD4HSD11B1ALDH1A1DRD2DRD3
SCHEMBL4002637 0.85 DRD4 (0.56) DRD4HSD11B1LDHAALDH1A1LMNA
SCHEMBL4008723 0.84 ALDH1A1 (0.66) DRD4HSD11B1ALDH1A1DRD2DRD3
SCHEMBL4010510 0.83 HSD11B1 (0.62) DRD4HSD11B1ALDH1A1TRPV1DRD2

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 DRD4 1497/4885HSD11B1 552/4885LDHA 2659/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885HSD11B1 552/4885LDHA 2659/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD4 1334/4885HSD11B1 804/4885LDHA 1896/4885

“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.