SCHEMBL4009552

SCHEMBL4009552

N#Cc1cccnc1N1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 1.00
KDM4E B2RXH2 3/20 0.49
RECQL P46063 1/20 0.49
GRM1 Q13255 2/20 0.48
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
ALDH1A1 P00352 1/20 0.46
DRD4 P21917 1/20 0.46
HDAC2 Q92769 1/20 0.44

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
SCHEMBL4005518 0.82 HSD11B1 (0.69) HSD11B1KDM4ERECQLGRM1DRD2
SCHEMBL4002647 0.82 HSD11B1 (0.69) HSD11B1KDM4ERECQLDRD2HTR2A
SCHEMBL4210443 0.79 ALDH1A1 (0.67) HSD11B1KDM4EDRD2ALDH1A1DRD4
SCHEMBL4006346 0.78 HSD11B1 (0.64) HSD11B1KDM4EDRD2HTR2AALDH1A1
SCHEMBL3453869 0.77 HSD11B1 (0.62) HSD11B1KDM4ERECQLGRM1DRD2
SCHEMBL7241999 0.77 KDM4E (0.64) HSD11B1KDM4ERECQLDRD2HTR2A
SCHEMBL4008918 0.76 HSD11B1 (0.62) HSD11B1KDM4ERECQLDRD2HTR2A
SCHEMBL4010510 0.76 HSD11B1 (0.62) HSD11B1KDM4EDRD2ALDH1A1DRD4
SCHEMBL4011642 0.76 ALDH1A1 (0.61) HSD11B1KDM4EDRD2ALDH1A1
SCHEMBL4005926 0.76 ALDH1A1 (0.61) HSD11B1KDM4EDRD2ALDH1A1

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 15 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-10039772-B2 Methods and compositions for treating alcohol use disorders SANNA PIETRO PAOLO (US) 2018-08-07 US disclosed
US-10039772-B2 Methods and compositions for treating alcohol use disorders SANNA PIETRO PAOLO (US) 2018-08-07 US disclosed
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS SANNA PIETRO PAOLO (US) 2017-08-17 US disclosed
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS SANNA PIETRO PAOLO (US) 2017-08-17 US disclosed
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 (6 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 552/4885KDM4E 2903/4885RECQL 2230/4885
US-10039772-B2 Methods and compositions for treating alcohol use disorders HSD3B1, HSD11B1, HSD3B2 HSD11B1 2/4885KDM4E 3167/4885RECQL 3306/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HSD11B1 552/4885KDM4E 2903/4885RECQL 2230/4885
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS HSD3B1, HSD11B1, HSD3B2 HSD11B1 2/4885KDM4E 3167/4885RECQL 3306/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 HSD11B1 804/4885KDM4E 2613/4885RECQL 2203/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HSD11B1 552/4885KDM4E 2903/4885RECQL 2230/4885

“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.