SCHEMBL4011656

SCHEMBL4011656

COc1ccccc1C1CCN(CC(=O)Nc2cccc(C)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 17/20 1.00
DRD2 P14416 6/20 0.70
DRD3 P35462 4/20 0.70
ALDH1A1 P00352 1/20 0.63
KDM4E B2RXH2 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL4001605 0.87 DRD4 (1.00) DRD4DRD2DRD3ALDH1A1
SCHEMBL4003724 0.85 DRD4 (1.00) DRD4DRD2DRD3ALDH1A1
SCHEMBL4006168 0.82 DRD4 (1.00) DRD4DRD2DRD3ALDH1A1
SCHEMBL14207951 0.81 DRD4 (0.67) DRD4DRD2ALDH1A1TSHRMAPK1
SCHEMBL4005507 0.81 DRD4 (1.00) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL4010266 0.78 DRD4 (1.00) DRD4DRD2DRD3ALDH1A1
SCHEMBL19300317 0.78 DRD4 (0.63) DRD4DRD2DRD3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL29634862 0.77 DRD4 (0.98) DRD4DRD2DRD3ALDH1A1
SCHEMBL4008577 0.77 DRD4 (1.00) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL17896859 0.77 ALDH1A1 (0.89) DRD4DRD2DRD3ALDH1A1

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 12 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-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 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-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 1497/4885DRD2 1644/4885DRD3 1700/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885DRD2 1644/4885DRD3 1700/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD4 1334/4885DRD2 1439/4885DRD3 1741/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885DRD2 1644/4885DRD3 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.