SCHEMBL4010603

SCHEMBL4010603

Cc1cccc(NC(=O)CN2CCN(c3ccccc3C#N)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 1.00
DRD2 P14416 5/20 0.72
DRD3 P35462 5/20 0.72
ALDH1A1 P00352 2/20 0.70
KDM4E B2RXH2 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
HTR2A P28223 1/20 0.61
THPO P40225 1/20 0.61
HIF1A Q16665 1/20 0.61
ANXA2 P07355 1/20 0.57
S100A10 P60903 1/20 0.57

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
SCHEMBL4005956 0.88 DRD4 (0.78) DRD4DRD2DRD3ALDH1A1
SCHEMBL4004582 0.87 DRD4 (0.77) DRD4DRD2ALDH1A1KDM4E
SCHEMBL4005427 0.86 DRD4 (0.78) DRD4DRD2DRD3ALDH1A1ANXA2
SCHEMBL4004877 0.85 DRD4 (0.76) DRD4DRD2DRD3ALDH1A1ANXA2
SCHEMBL4002606 0.85 DRD4 (0.76) DRD4DRD2DRD3ALDH1A1ANXA2
SCHEMBL4003927 0.85 DRD4 (0.73) DRD4DRD2DRD3ALDH1A1
SCHEMBL4008994 0.84 DRD4 (0.74) DRD4DRD2DRD3ALDH1A1ANXA2
SCHEMBL4003501 0.84 ALDH1A1 (0.75) DRD4DRD2DRD3ALDH1A1CYP1A2
SCHEMBL4005101 0.84 DRD4 (1.00) DRD4DRD2DRD3ALDH1A1
SCHEMBL4007325 0.83 DRD4 (0.71) DRD4DRD2DRD3ALDH1A1CYP1A2

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 23 patents — showing the first 20. 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-20190022091-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-01-24 US disclosed
US-10098875-B2 Method of treatment for mental disorders SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-10-16 US disclosed
US-9827242-B2 Method of treatment for mental disorders SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-11-28 US disclosed
US-20160193205-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-07-07 US disclosed
US-20160129000-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-12 US disclosed
US-20160129000-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-12 US disclosed
US-9259423-B2 Method of treatment for mental disorders SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-02-16 US disclosed
US-20120115879-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS Sumitomo Pharma Co., Ltd. (JP) 2012-05-10 US disclosed
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 (9 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-20160193205-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD2 6/4885DRD3 8/4885
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-20190022091-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD2 6/4885DRD3 8/4885
US-20120115879-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD2 6/4885DRD3 8/4885
US-10098875-B2 Method of treatment for mental disorders DRD4, HTR4, SLC6A3 DRD4 1/4885DRD2 6/4885DRD3 8/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885DRD2 1644/4885DRD3 1700/4885
US-20160129000-A1 METHOD OF TREATMENT FOR MENTAL DISORDERS DRD4, HTR4, SLC6A3 DRD4 1/4885DRD2 6/4885DRD3 8/4885

“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.