SCHEMBL4113356

SCHEMBL4113356

CCOC(=O)C1CN(Cc2ccccc2)CC1c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 2/20 0.57
S1PR5 Q9H228 4/20 0.50
S1PR1 P21453 3/20 0.50
PDGFRA P16234 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GRK5 P34947 1/20 0.49
CDK8 P49336 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
F10 P00742 5/20 0.48
PRSS1 P07477 4/20 0.48
USP30 Q70CQ3 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PRKD3 O94806 1/20 0.46
CDK7 P50613 1/20 0.46
JAK3 P52333 1/20 0.46
TNK2 Q07912 1/20 0.46

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
SCHEMBL30682978 0.86 CCR5 (0.53) SLC18A2F10PRSS1USP30
SCHEMBL1896053 0.86 CCR5 (0.53) SLC18A2F10PRSS1USP30
SCHEMBL1890242 0.86 F10 (0.47) SLC18A2ALDH1A1MAPTF10PRSS1
SCHEMBL3449300 0.86 RORC (0.55) SLC18A2ALDH1A1MAPTUSP30
SCHEMBL5839366 0.86 RORC (0.55) SLC18A2ALDH1A1MAPTUSP30
SCHEMBL7887604 0.86 RORC (0.55) SLC18A2ALDH1A1MAPTUSP30
SCHEMBL1714033 0.81 KDM4E (0.51) S1PR5S1PR1SMN1; SMN2ALDH1A1USP30
SCHEMBL1714032 0.81 KDM4E (0.51) S1PR5S1PR1SMN1; SMN2ALDH1A1USP30
SCHEMBL3033370 0.81 SLC18A2 (0.53) SLC18A2USP30
SCHEMBL2782549 0.81 SLC18A2 (0.53) SLC18A2USP30

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 SLC18A2 1890/4885S1PR5 499/4885S1PR1 427/4885

“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.