SCHEMBL4010464

SCHEMBL4010464

COc1ccccc1NC(=O)CN1CCN(c2ncccc2C#N)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
DRD2 P14416 2/20 0.62
KMT2A Q03164 7/20 0.60
MEN1 O00255 6/20 0.60
HTR1A P08908 1/20 0.60
HTR2A P28223 1/20 0.60
HTR7 P34969 1/20 0.60
NPSR1 Q6W5P4 2/20 0.57
MAPT P10636 2/20 0.57
TSHR P16473 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD11B1 P28845 1/20 0.57
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL4004525 0.87 HSD11B1 (0.60) ALDH1A1SMN1; SMN2DRD2KMT2AMEN1
SCHEMBL4010589 0.85 POLB (0.66) ALDH1A1DRD2KMT2AMEN1HTR2A
SCHEMBL4009154 0.85 HSD11B1 (0.55) ALDH1A1SMN1; SMN2DRD2KMT2AMEN1
SCHEMBL4005357 0.83 HSD11B1 (0.60) KMT2AMEN1MAPTHSD11B1
SCHEMBL4005288 0.83 MAPK1 (0.70) ALDH1A1DRD2KMT2AMEN1HTR2A
SCHEMBL4006346 0.83 HSD11B1 (0.64) ALDH1A1DRD2HTR2ANPSR1MAPT
SCHEMBL4009209 0.82 HTT (0.59) ALDH1A1SMN1; SMN2DRD2KMT2AMEN1
SCHEMBL4010510 0.81 HSD11B1 (0.62) ALDH1A1DRD2NPSR1HSD11B1KDM4E
SCHEMBL4003800 0.81 HSD11B1 (0.57) ALDH1A1DRD2KMT2AMEN1MAPT
SCHEMBL6173210 0.81 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1

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 12 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-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 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 88/4885SMN1; SMN2 1213/4885DRD2 1644/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885SMN1; SMN2 1213/4885DRD2 1644/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 ALDH1A1 193/4885SMN1; SMN2 1699/4885DRD2 1439/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885SMN1; SMN2 1213/4885DRD2 1644/4885

“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.