SCHEMBL4100736

SCHEMBL4100736

CC1CN(Cc2ccccc2)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
FUCA1 P04066 2/20 0.38
ACHE P22303 1/20 0.38
DRD2 P14416 4/20 0.37
DRD4 P21917 4/20 0.37
DRD3 P35462 4/20 0.37
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
RORC P51449 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
SMYD2 Q9NRG4 1/20 0.35

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
SCHEMBL4104754 0.86 GBA1 (0.37) GBA1FUCA1S1PR1S1PR5RORC
SCHEMBL29203279 0.82 SMYD2 (0.38) GBA1FUCA1ACHEDRD2DRD4
SCHEMBL29203285 0.82 GBA1 (0.42) GBA1FUCA1DRD2DRD4DRD3
SCHEMBL30232226 0.82 SMYD2 (0.38) GBA1FUCA1ACHEDRD2DRD4
SCHEMBL30232287 0.82 SMYD2 (0.38) GBA1FUCA1ACHEDRD2DRD4
SCHEMBL16368996 0.81 MAPT (0.43) SMYD2
SCHEMBL16369034 0.81 MAPT (0.43) SMYD2
SCHEMBL6042621 0.81 ALDH1A1 (0.42) GBA1FUCA1ACHE
SCHEMBL17395263 0.79 SMYD2 (0.39) SMYD2
SCHEMBL4106256 0.77 S1PR5 (0.42) S1PR1S1PR5RORC

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 3845/4885ACHE 4330/4885

“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.