SCHEMBL1131364

SCHEMBL1131364

CC(C)(C)OC(=O)N1CC(n2nnc(-c3ccccc3)n2)CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.42
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ESR2 Q92731 1/20 0.41
UCHL1 P09936 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AGTR2 P50052 1/20 0.39
HPGDS O60760 1/20 0.38
HTRA1 Q92743 1/20 0.38
USP30 Q70CQ3 2/20 0.37

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
SCHEMBL1131373 0.91 ALDH1A1 (0.41) SRCHSD11B1ALDH1A1MAPTESR2
SCHEMBL10255074 0.91 ALDH1A1 (0.41) SRCHSD11B1ALDH1A1MAPTESR2
SCHEMBL1068111 0.90 HSD17B10 (0.43) SRCALDH1A1SMN1; SMN2
SCHEMBL1068114 0.90 HSD17B10 (0.43) SRCALDH1A1SMN1; SMN2
SCHEMBL13898314 0.85 MAPT (0.51) HSD11B1ALDH1A1MAPTESR2UCHL1
SCHEMBL3892192 0.81 ABL1 (0.37) SRCPOLBSMN1; SMN2USP30
SCHEMBL1130985 0.81 ALDH1A1 (0.42) HSD11B1ALDH1A1MAPTESR2UCHL1
SCHEMBL10254762 0.79 AGTR2 (0.42) SRCUCHL1AGTR2HTRA1USP30
SCHEMBL29255152 0.79 LTA4H (0.49)
SCHEMBL2834188 0.74 HPGDS (0.59) SRCHSD11B1ALDH1A1MAPTESR2

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 7 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-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
US-20080306089-A1 PROLINAMIDE-TETRAZOLE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2008-12-11 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 (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 SRC 3420/4885HSD11B1 1975/4885ALDH1A1 545/4885

“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.