SCHEMBL1130985

SCHEMBL1130985

CC(C)(C)OC(=O)N1CC(n2nnc(-c3ccccc3)n2)CC1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ESR2 Q92731 1/20 0.42
UCHL1 P09936 3/20 0.38
GRM5 P41594 1/20 0.38
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
TGM2 P21980 1/20 0.38
MC4R P32245 1/20 0.37
HSD11B1 P28845 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL13898314 0.88 MAPT (0.51) ALDH1A1MAPTESR2UCHL1CKS1B
SCHEMBL3903362 0.87 GPR119 (0.40) UCHL1GRM5TGM2MC4RGPR119
SCHEMBL1131590 0.87 GPR119 (0.40) UCHL1GRM5TGM2MC4RGPR119
SCHEMBL1131364 0.81 SRC (0.42) ALDH1A1MAPTESR2UCHL1HSD11B1
SCHEMBL13841896 0.80 GRM5 (0.46) UCHL1GRM5TGM2MC4RGPR119
SCHEMBL2840732 0.80 GRM5 (0.46) UCHL1GRM5TGM2MC4RGPR119
SCHEMBL10255074 0.78 ALDH1A1 (0.41) ALDH1A1MAPTESR2UCHL1HSD11B1
SCHEMBL1131373 0.78 ALDH1A1 (0.41) ALDH1A1MAPTESR2UCHL1HSD11B1
SCHEMBL1130847 0.77 HDAC2 (0.49) GRM5HSD11B1
SCHEMBL13088807 0.75 UCHL1 (0.56) UCHL1GRM5HSD11B1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155729-B1 PROLINAMIDE-TETRAZOLE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-02-16 EP disclosed
EP-2155729-A1 PROLINAMIDE-TETRAZOLE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
US-7501422-B2 Prolinamide-tetrazole derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-20080306089-A1 PROLINAMIDE-TETRAZOLE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2008-12-11 US disclosed
WO-2008148688-A1 PROLINAMIDE-TETRAZOLE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-12-11 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 (1 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-20080306089-A1 PROLINAMIDE-TETRAZOLE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS SLC6A3, TAC3, NPSR1 ALDH1A1 545/4885MAPT 467/4885ESR2 1893/4885

“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.