SCHEMBL4010202

SCHEMBL4010202

O=C(NCN1CCN(c2ccccn2)CC1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HSD17B10 Q99714 2/20 0.56
GRM1 Q13255 1/20 0.53
THRB P10828 1/20 0.51
GPBAR1 Q8TDU6 1/20 0.51
MMP1 P03956 1/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL4011088 0.81 DRD4 (0.59) ALDH1A1KDM4EDRD2
SCHEMBL4004278 0.78 ALDH1A1 (0.69) ALDH1A1NPSR1THRBHTR1ADRD2
SCHEMBL16384059 0.77 KDM4E (0.67) ALDH1A1KDM4ENPSR1HSD17B10GRM1
SCHEMBL3583669 0.75 MALT1 (0.57) ALDH1A1KDM4ENPSR1HSD17B10THRB
SCHEMBL4001553 0.74 DRD4 (0.50) ALDH1A1KDM4EHTR1ADRD2
SCHEMBL5375782 0.73 HTR1A (0.60) ALDH1A1KDM4ENPSR1HSD17B10GRM1
SCHEMBL5006701 0.73 MALT1 (0.58) ALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL10154340 0.73 MALT1 (0.58) ALDH1A1KDM4ENPSR1HSD17B10THRB
SCHEMBL19888397 0.73 EPHX1 (0.53) NPSR1HSD17B10
SCHEMBL612457 0.72 ALDH1A1 (0.60) ALDH1A1KDM4ENPSR1HSD17B10GRM1

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 8 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
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

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 ALDH1A1 88/4885KDM4E 2903/4885NPSR1 1468/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885KDM4E 2903/4885NPSR1 1468/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 ALDH1A1 193/4885KDM4E 2613/4885NPSR1 1595/4885

“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.