SCHEMBL1131554

SCHEMBL1131554

Cc1ccc(S(=O)(=O)OC2CC(C(=O)N3CCN(c4ccccc4C#N)CC3)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MCL1 Q07820 4/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 2/20 0.39
GRM5 P41594 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
TGM2 P21980 1/20 0.38
MC4R P32245 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
GRM1 Q13255 1/20 0.35

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
SCHEMBL3889694 1.00 MAPT (0.41) MAPTLMNAMEN1KMT2AMCL1
SCHEMBL7139062 0.84 PREP (0.43) MEN1KMT2AMCL1ALDH1A1
SCHEMBL4914727 0.82 L3MBTL1 (0.42) LMNAMEN1KMT2AMCL1ALDH1A1
SCHEMBL13841896 0.81 GRM5 (0.46) NR1H2NR1H3GRM5TGM2MC4R
SCHEMBL2840732 0.81 GRM5 (0.46) NR1H2NR1H3GRM5TGM2MC4R
SCHEMBL3187965 0.78 MCL1 (0.44) MEN1KMT2AMCL1NR1H2NR1H3
SCHEMBL6847660 0.78 MCL1 (0.46) MCL1NR1H2NR1H3
SCHEMBL30148070 0.78 MCL1 (0.44) MEN1KMT2AMCL1NR1H2NR1H3
SCHEMBL4421755 0.78 MCL1 (0.46) MCL1NR1H2NR1H3
SCHEMBL13481726 0.78 MCL1 (0.44) MEN1KMT2AMCL1NR1H2NR1H3

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 MAPT 467/4885LMNA 4303/4885MEN1 4654/4885

“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.