SCHEMBL4002647

SCHEMBL4002647

N#Cc1cccnc1N1CCN(CC(=O)NC2CCCCC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.69
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 3/20 0.54
RECQL P46063 1/20 0.54
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
DRD4 P21917 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4009552 0.82 HSD11B1 (1.00) HSD11B1ALDH1A1KDM4ERECQLDRD2
SCHEMBL4011522 0.81 ALDH1A1 (0.61) HSD11B1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4011642 0.81 ALDH1A1 (0.61) HSD11B1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4005926 0.81 ALDH1A1 (0.61) HSD11B1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4006346 0.80 HSD11B1 (0.64) HSD11B1ALDH1A1KDM4EDRD2HTR2A
SCHEMBL7241999 0.79 KDM4E (0.64) HSD11B1ALDH1A1KDM4ERECQLDRD2
SCHEMBL4008918 0.78 HSD11B1 (0.62) HSD11B1ALDH1A1KDM4ERECQLMEN1
SCHEMBL4010510 0.78 HSD11B1 (0.62) HSD11B1ALDH1A1KDM4EDRD2DRD4
SCHEMBL5220690 0.78 KDM4E (0.66) HSD11B1ALDH1A1KDM4ERECQLMEN1
SCHEMBL4005518 0.78 HSD11B1 (0.69) HSD11B1ALDH1A1KDM4ERECQLDRD2

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 HSD11B1 552/4885ALDH1A1 88/4885KDM4E 2903/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HSD11B1 552/4885ALDH1A1 88/4885KDM4E 2903/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 HSD11B1 804/4885ALDH1A1 193/4885KDM4E 2613/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HSD11B1 552/4885ALDH1A1 88/4885KDM4E 2903/4885

“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.