SCHEMBL4002545

SCHEMBL4002545

Cc1cccc(NC(=O)CN2CC=C(c3sccc3C#N)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.57
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 3/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4002936 0.88 ALDH1A1 (0.59) DRD4ALDH1A1KDM4ETSHRMAPK1
SCHEMBL4005440 0.81 ALDH1A1 (0.60) DRD4ALDH1A1KDM4ETSHRMAPK1
SCHEMBL4008666 0.81 DRD4 (0.61) DRD4ALDH1A1KDM4ETSHRMAPK1
SCHEMBL3999430 0.80 KDM4E (0.67) DRD4ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL6215301 0.75 DRD4 (0.45) DRD4ALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL4005384 0.75 DRD4 (0.63) DRD4ALDH1A1KDM4ETSHRMAPK1
SCHEMBL4009446 0.74 ALDH1A1 (0.58) DRD4ALDH1A1KDM4ETSHRMAPK1
SCHEMBL4010603 0.73 DRD4 (1.00) DRD4ALDH1A1KDM4EDRD2DRD3
SCHEMBL6243192 0.72 ALDH1A1 (0.56) DRD4ALDH1A1KDM4ETSHRMAPK1
SCHEMBL4003927 0.71 DRD4 (0.73) DRD4ALDH1A1DRD2DRD3

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 DRD4 1497/4885ALDH1A1 88/4885KMT2A 2169/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885ALDH1A1 88/4885KMT2A 2169/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD4 1334/4885ALDH1A1 193/4885KMT2A 1792/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885ALDH1A1 88/4885KMT2A 2169/4885

“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.