SCHEMBL4006366

SCHEMBL4006366

O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Cl)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.82
NPSR1 Q6W5P4 1/20 0.82
ALDH1A1 P00352 7/20 0.74
MAPT P10636 4/20 0.74
TSHR P16473 2/20 0.74
GAA P10253 2/20 0.74
KDM4E B2RXH2 1/20 0.74
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
CA12 O43570 1/20 0.72
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
CA7 P43166 1/20 0.72
GFER P55789 1/20 0.72
LMNA P02545 3/20 0.72
DRD2 P14416 5/20 0.71
DRD4 P21917 5/20 0.71
DRD3 P35462 3/20 0.70
ATM Q13315 1/20 0.67
POLB P06746 1/20 0.65

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
SCHEMBL4008925 0.90 THRB (1.00) THRBNPSR1ALDH1A1MAPTTSHR
SCHEMBL4006650 0.88 ALDH1A1 (0.93) THRBNPSR1ALDH1A1MAPTTSHR
SCHEMBL4006313 0.87 THRB (0.77) THRBNPSR1ALDH1A1MAPTTSHR
SCHEMBL4007645 0.87 ALDH1A1 (0.78) THRBNPSR1ALDH1A1MAPTTSHR
SCHEMBL4003222 0.85 ALDH1A1 (0.79) THRBNPSR1ALDH1A1MAPTTSHR
SCHEMBL4010416 0.84 POLB (0.84) THRBNPSR1ALDH1A1MAPTTSHR
SCHEMBL4009620 0.82 ALDH1A1 (0.76) THRBNPSR1ALDH1A1MAPTTSHR
SCHEMBL6352013 0.81 HTR1A (0.62) THRBNPSR1ALDH1A1TSHRKDM4E
SCHEMBL14414043 0.81 KDM4E (0.81) ALDH1A1MAPTGAAKDM4ECA12
SCHEMBL4003722 0.81 KMT2A (1.00) THRBNPSR1ALDH1A1MAPTTSHR

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 THRB 4311/4885NPSR1 1468/4885ALDH1A1 88/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 THRB 4311/4885NPSR1 1468/4885ALDH1A1 88/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 THRB 4066/4885NPSR1 1595/4885ALDH1A1 193/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 THRB 4311/4885NPSR1 1468/4885ALDH1A1 88/4885

“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.