SCHEMBL3874751

SCHEMBL3874751

CCOC(=O)N1CCc2ccc(O)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.61
ESR1 P03372 4/20 0.58
TMEM97 Q5BJF2 8/20 0.53
SIGMAR1 Q99720 8/20 0.53
HRH2 P25021 2/20 0.52
HTR2C P28335 2/20 0.52
HTR1E P28566 2/20 0.52
HRH1 P35367 2/20 0.52
HTR1A P08908 1/20 0.52
CHRM5 P08912 1/20 0.52
SLC6A2 P23975 1/20 0.52
ADRA1D P25100 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A3 Q01959 1/20 0.52
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL1295224 0.91 ESR2 (0.57) ESR2ESR1LMNAKDM4EGAA
SCHEMBL21465756 0.88 ESR2 (0.55) ESR2ESR1TMEM97SIGMAR1HRH2
SCHEMBL29950440 0.88 ESR2 (0.55) ESR2ESR1TMEM97SIGMAR1HRH2
SCHEMBL12879433 0.88 ABHD6 (0.57) ESR2ESR1TMEM97SIGMAR1HRH2
SCHEMBL18793349 0.84 LMNA (0.50) TMEM97SIGMAR1HRH2HTR2CHTR1E
SCHEMBL30515329 0.84 TMEM97 (0.70) TMEM97SIGMAR1HRH2HTR2CHTR1E
SCHEMBL1299903 0.84 TMEM97 (0.70) TMEM97SIGMAR1HRH2HTR2CHTR1E
SCHEMBL25728966 0.82 F10 (0.49) TMEM97SIGMAR1HRH2HTR2CHTR1E
SCHEMBL16268868 0.82 ALDH1A1 (0.64) HTR1ASLC6A2KDM4EMAPTALDH1A1
SCHEMBL29372093 0.82 ESR2 (0.90) ESR2ESR1TMEM97SIGMAR1MAPT

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-1844045-B1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-04 EP disclosed
US-7442710-B2 Substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-10-28 US disclosed
US-7442710-B2 Substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-10-28 US disclosed
US-7442710-B2 Substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1844045-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
WO-2006079467-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F. HOFMANN-LA ROCHE AG (CH) 2006-08-03 WO disclosed
US-20060167023-A1 Substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-07-27 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-20060167023-A1 Substituted phenyl methanones SLC6A7, SLC1A1, SLC26A3 ESR2 1325/4885ESR1 864/4885TMEM97 216/4885

“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.