SCHEMBL982198

SCHEMBL982198

CC1(C)OB(c2cnc3c(ccn3[Si](C)(C)C(C)(C)C)c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
DGAT1 O75907 2/20 0.35
AAK1 Q2M2I8 1/20 0.34
ALPL P05186 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
LPL P06858 9/20 0.33
LIPG Q9Y5X9 9/20 0.33
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL2722782 0.82 IRAK4 (0.35) FFAR1DGAT1AAK1ALPLIRAK4
SCHEMBL2068803 0.80 APP (0.39) FFAR1DGAT1AAK1ALPLIRAK4
SCHEMBL720459 0.79 PDGFRB (0.37) FFAR1DGAT1ALPLIRAK4LPL
SCHEMBL1960853 0.75 CCR1 (0.39)
SCHEMBL12537323 0.74 PDGFRB (0.39) FFAR1DGAT1ALPLIRAK4LPL
SCHEMBL30179105 0.74 PDGFRB (0.41) FFAR1DGAT1ALPLIRAK4LPL
SCHEMBL4831595 0.74 ALPL (0.38) FFAR1DGAT1ALPLIRAK4LPL
SCHEMBL1665957 0.74 FGFR1 (0.35) IRAK4
SCHEMBL15328787 0.73 PDGFRB (0.36) FFAR1DGAT1IRAK4LPLLIPG
SCHEMBL25316539 0.73 DGAT1 (0.32) FFAR1DGAT1AAK1ALPLIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257545-B1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMAN-LA ROCHE, INC. (US) 2011-01-27 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-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF SLC6A3, MAOB, TPH2 FFAR1 3197/4885DGAT1 3226/4885AAK1 3446/4885

“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.