SCHEMBL4011645

SCHEMBL4011645

CC(C)(C)OC(=O)N1CC=C(c2ncco2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.51
GRM5 P41594 11/20 0.51
PDK4 Q16654 1/20 0.49
GPR119 Q8TDV5 1/20 0.46
TNK2 Q07912 1/20 0.46
NAMPT P43490 1/20 0.46
EED O75530 1/20 0.45
RBBP4 Q09028 1/20 0.45
SUZ12 Q15022 1/20 0.45
EZH2 Q15910 1/20 0.45
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
FAAH O00519 1/20 0.45

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
Oxazole SCHEMBL6241338 0.92 GRM1 (0.47) GRM1GRM5PDK4GPR119TNK2
SCHEMBL31169299 0.88 GRM1 (0.48) GRM1GRM5PDK4GPR119NAMPT
SCHEMBL20028660 0.81 FAAH (0.45) GRM5GPR119FAAH
SCHEMBL7470566 0.80 GRM5 (0.60) GRM1GRM5PDK4GPR119TNK2
SCHEMBL15024195 0.78 GRM1 (0.60) GRM1GRM5PDK4TNK2NAMPT
SCHEMBL15756313 0.78 GRM1 (0.52) GRM1GRM5PDK4GPR119NAMPT
SCHEMBL7941280 0.78 GRM1 (0.49) GRM1GRM5PDK4GPR119TNK2
SCHEMBL1863518 0.77 GRM1 (0.67) GRM1GRM5PDK4GPR119NAMPT
SCHEMBL15785120 0.77 PDK4 (0.56) GRM1GRM5PDK4GPR119NAMPT
SCHEMBL31227073 0.76 WNT3A (0.61) GRM1GRM5PDK4GPR119TNK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 GRM1 1437/4885GRM5 1577/4885PDK4 2086/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 GRM1 1437/4885GRM5 1577/4885PDK4 2086/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 GRM1 2533/4885GRM5 1310/4885PDK4 1710/4885

“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.