SCHEMBL4608267

SCHEMBL4608267

COC(=O)[C@@H](CC(=O)O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.53
HTR2B P41595 3/20 0.53
CYP3A4 P08684 3/20 0.53
USP2 O75604 2/20 0.53
HTR2C P28335 2/20 0.53
ADRA2C P18825 2/20 0.53
SLC6A4 P31645 2/20 0.53
ADRA1A P35348 2/20 0.53
DRD3 P35462 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
NR1I2 O75469 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADRA2B P18089 1/20 0.53
CHRM3 P20309 1/20 0.53
SLC6A2 P23975 1/20 0.53
HRH1 P35367 1/20 0.53

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
SCHEMBL3959231 1.00 HTR2A (0.53) HTR2AHTR2BCYP3A4USP2HTR2C
SCHEMBL3961475 0.85 FOLH1 (0.62) HTR2AHTR2BCYP3A4USP2HTR2C
SCHEMBL3961471 0.85 FOLH1 (0.62) HTR2AHTR2BCYP3A4USP2HTR2C
SCHEMBL3961470 0.85 FOLH1 (0.62) HTR2AHTR2BCYP3A4USP2HTR2C
SCHEMBL4260608 0.83 MAPT (0.48) HTR2AHTR2BCYP3A4USP2HTR2C
SCHEMBL28017508 0.82 HTR2A (0.56) HTR2AHTR2BCYP3A4USP2HTR2C
SCHEMBL12440296 0.81 HTR2A (0.59) HTR2AHTR2BCYP3A4USP2HTR2C
SCHEMBL2166742 0.81 HTR2A (0.55) HTR2AHTR2BCYP3A4USP2HTR2C
SCHEMBL4608014 0.81 FOLH1 (0.50) KMT2AFOLH1
SCHEMBL13912552 0.81 HTR2A (0.48) HTR2AHTR2BCYP3A4USP2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 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-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS HTR2A 328/4885HTR2B 184/4885CYP3A4 564/4885

“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.