SCHEMBL2819571

SCHEMBL2819571

CC(C)(C)OC(=O)N(Cc1ccc(F)cc1F)C1CC(C(=O)O)N(Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.46
OPRM1 P35372 1/20 0.41
HSD11B1 P28845 1/20 0.41
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL2818863 0.92 HTR2A (0.44) HTR2AOPRM1HSD11B1SIGMAR1
SCHEMBL13841892 0.86 HSD11B1 (0.52) OPRM1HSD11B1
SCHEMBL2824379 0.86 HSD11B1 (0.52) OPRM1HSD11B1
SCHEMBL2817863 0.78 HTR2A (0.46) HTR2A
SCHEMBL2819635 0.78 MEN1 (0.41) SIGMAR1
SCHEMBL3635161 0.78 MEN1 (0.41) SIGMAR1
SCHEMBL2822792 0.77 HSD11B1 (0.50) OPRM1HSD11B1
SCHEMBL13841889 0.77 HSD11B1 (0.50) OPRM1HSD11B1
SCHEMBL2820787 0.75 S1PR1 (0.44) HTR2ASIGMAR1
SCHEMBL3633815 0.75 S1PR1 (0.44) HTR2ASIGMAR1

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-2155672-B1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-10-27 EP disclosed
EP-2155672-A1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
US-7528136-B2 for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD); 2-{4-[(2S,4S)-1-benzyl-4-(2,4-difluoro-benzylamino)-pyrrolidine-2-carbonyl]-piperazin-1-yl}-benzonitrile HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
US-20080306086-A1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-11 US disclosed
WO-2008148689-A1 PROLINAMIDE DERIVATIVES AS NK3 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-20080306086-A1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS SLC6A3, OPRL1, OPRK1 HTR2A 121/4885OPRM1 53/4885HSD11B1 2349/4885

“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.