SCHEMBL4006676

SCHEMBL4006676

O=C(CN1CCN(c2ccccn2)CC1)NCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.77
MDM2 Q00987 1/20 0.77
CA1 P00915 2/20 0.76
CA2 P00918 2/20 0.76
CA7 P43166 2/20 0.76
CA9 Q16790 2/20 0.76
HSD17B10 Q99714 1/20 0.70
THRB P10828 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
MAPT P10636 2/20 0.63
DRD2 P14416 3/20 0.61
DRD4 P21917 3/20 0.61
DRD3 P35462 2/20 0.61
POLB P06746 1/20 0.61
TSHR P16473 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
USP2 O75604 1/20 0.59
HTT P42858 1/20 0.59
MEN1 O00255 1/20 0.58

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
SCHEMBL3844592 0.84 HTT (0.79) ALDH1A1MDM2CA1CA2CA7
SCHEMBL4008925 0.82 THRB (1.00) ALDH1A1CA1CA2CA7HSD17B10
SCHEMBL5174282 0.81 NPSR1 (0.71) ALDH1A1HSD17B10THRBNPSR1MAPT
SCHEMBL6360940 0.81 THRB (0.63) ALDH1A1THRBNPSR1MAPTDRD2
SCHEMBL4010416 0.81 POLB (0.84) ALDH1A1CA1CA2CA7THRB
Hydrochloric Acid SCHEMBL1373101 0.80 NPSR1 (0.69) ALDH1A1HSD17B10THRBNPSR1MAPT
SCHEMBL3301985 0.79 ALDH1A1 (0.59) ALDH1A1MDM2CA1CA2CA7
SCHEMBL10403767 0.78 THRB (0.67) ALDH1A1HSD17B10THRBNPSR1MAPT
SCHEMBL4818022 0.78 CA1 (0.76) ALDH1A1MDM2CA1CA2CA7
SCHEMBL5185365 0.78 CA1 (0.58) ALDH1A1CA1CA2CA7CA9

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 11 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-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 ALDH1A1 88/4885MDM2 4870/4885CA1 1251/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885MDM2 4870/4885CA1 1251/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 ALDH1A1 193/4885MDM2 4848/4885CA1 1568/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885MDM2 4870/4885CA1 1251/4885

“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.