SCHEMBL4100869

SCHEMBL4100869

CCOC(=O)CCCCC(=O)N1C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](c2ccccc2C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.39
NAMPT P43490 1/20 0.38
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 1/20 0.35
MAPT P10636 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 1/20 0.33
POLB P06746 1/20 0.33
TBXAS1 P24557 1/20 0.33
TOP2A P11388 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
HTR2A P28223 1/20 0.32

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
SCHEMBL4101462 0.82 HTR2A (0.39) TBXA2RTSHRMAPTHTTGAA
SCHEMBL4101097 0.74 ALDH1A1 (0.40) RAB9AL3MBTL1ALDH1A1MAPTHTT
SCHEMBL4096452 0.74 CCR5 (0.35) TSHRMAPTHTTSMN1; SMN2
SCHEMBL4107979 0.70 DRD2 (0.41) TBXA2RDRD2HTR2AHTR2CHTR2B
SCHEMBL4111698 0.69 CCR5 (0.39)
SCHEMBL4093859 0.69 CCR5 (0.39)
SCHEMBL4108752 0.66 RORC (0.40)
SCHEMBL4101475 0.66 RORC (0.40)
SCHEMBL4093866 0.66 RORC (0.40)
SCHEMBL11992535 0.65 CHRNB2 (0.37)

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-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 EP 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-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R TBXA2R 2498/4885NAMPT 3407/4885RAB9A 621/4885

“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.