SCHEMBL4011522

SCHEMBL4011522

N#Cc1cccnc1N1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 2/20 0.61
LMNA P02545 2/20 0.61
HSD11B1 P28845 1/20 0.61
DRD2 P14416 4/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPSR1 Q6W5P4 2/20 0.55
HTR1A P08908 1/20 0.54
TSHR P16473 2/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
HTR7 P34969 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
SCHEMBL4011642 1.00 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHSD11B1DRD2
SCHEMBL4005926 1.00 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHSD11B1DRD2
SCHEMBL4002647 0.81 HSD11B1 (0.69) ALDH1A1LMNAHSD11B1DRD2MEN1
SCHEMBL13936472 0.79 ALDH1A1 (0.86) ALDH1A1MAPTLMNADRD2MEN1
SCHEMBL4006286 0.77 HSD11B1 (0.56) ALDH1A1LMNAHSD11B1DRD2MEN1
SCHEMBL4006346 0.76 HSD11B1 (0.64) ALDH1A1MAPTHSD11B1DRD2KDM4E
SCHEMBL4009552 0.76 HSD11B1 (1.00) ALDH1A1HSD11B1DRD2KDM4E
SCHEMBL4008918 0.74 HSD11B1 (0.62) ALDH1A1MAPTHSD11B1DRD2MEN1
SCHEMBL13936466 0.73 HTR1A (0.78) ALDH1A1MAPTLMNADRD2KDM4E
SCHEMBL7241999 0.73 KDM4E (0.64) ALDH1A1MAPTHSD11B1DRD2KDM4E

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 9 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-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

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 88/4885MAPT 3896/4885LMNA 4331/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885MAPT 3896/4885LMNA 4331/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 ALDH1A1 193/4885MAPT 3453/4885LMNA 4410/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885MAPT 3896/4885LMNA 4331/4885

“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.