SCHEMBL4104754

SCHEMBL4104754

CC(C)(C)[Si](OCC1CN(Cc2ccccc2)CC1C(F)(F)F)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.37
FUCA1 P04066 2/20 0.36
S1PR5 Q9H228 2/20 0.35
S1PR1 P21453 1/20 0.35
RORC P51449 1/20 0.34
SMYD2 Q9NRG4 2/20 0.34
CCR5 P51681 1/20 0.33

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
SCHEMBL4100736 0.86 GBA1 (0.39) GBA1FUCA1S1PR5S1PR1RORC
SCHEMBL4106256 0.80 S1PR5 (0.42) S1PR5S1PR1RORCCCR5
SCHEMBL6042621 0.80 ALDH1A1 (0.42) GBA1FUCA1
SCHEMBL29203279 0.76 SMYD2 (0.38) GBA1FUCA1S1PR5S1PR1SMYD2
SCHEMBL30232287 0.76 SMYD2 (0.38) GBA1FUCA1S1PR5S1PR1SMYD2
SCHEMBL30232226 0.76 SMYD2 (0.38) GBA1FUCA1S1PR5S1PR1SMYD2
SCHEMBL7504517 0.76 GBA1 (0.47) GBA1FUCA1S1PR5S1PR1RORC
SCHEMBL7504528 0.76 GBA1 (0.47) GBA1FUCA1S1PR5S1PR1RORC
SCHEMBL7504523 0.76 GBA1 (0.47) GBA1FUCA1S1PR5S1PR1RORC
SCHEMBL4100565 0.75 GAA (0.38) FUCA1RORCSMYD2

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 GBA1 2653/4885FUCA1 3845/4885S1PR5 499/4885

“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.