SCHEMBL5821047

SCHEMBL5821047

CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.56
RORC P51449 1/20 0.56
PDE4B Q07343 6/20 0.54
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
SLC6A3 Q01959 1/20 0.44
SLC18A2 Q05940 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL1105921 0.90 PKM (0.51) TACR1RORCMAPTPKM
SCHEMBL2240106 0.90 TACR1 (0.58) TACR1RORCMAPTPKMSLC6A3
SCHEMBL4004318 0.90 PKM (0.51) TACR1RORCMAPTPKM
SCHEMBL7904145 0.90 PKM (0.51) TACR1RORCMAPTPKM
SCHEMBL4790687 0.90 TACR1 (0.58) TACR1RORCMAPTPKMSLC6A3
SCHEMBL3004868 0.90 PKM (0.51) TACR1RORCMAPTPKM
SCHEMBL1105755 0.90 PKM (0.51) TACR1RORCMAPTPKM
SCHEMBL3010603 0.90 PKM (0.51) TACR1RORCMAPTPKM
SCHEMBL12647197 0.90 TACR1 (0.58) TACR1RORCMAPTPKMSLC6A3
SCHEMBL23060617 0.87 PDE4B (0.59) TACR1RORCPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138423-B2 Diseases mediated by tachykinins and for seritonin reuptake transporter protein as reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
WO-2006014665-A2 ARYLPYRROLIDINE DERIVATIVES AS NK-1/SSRI ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 WO disclosed
US-20060020011-A1 Arylpyrrolidine derivatives as NK-1 /SSRI antagonists BRISTOL-MEYERS SQUIBB COMPANY 2006-01-26 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-20060020011-A1 Arylpyrrolidine derivatives as NK-1 /SSRI antagonists TPH1, SLC6A4, HTR1D TACR1 24/4885RORC 3001/4885PDE4B 2998/4885

“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.