SCHEMBL5351452

SCHEMBL5351452

c1ccc(COCO[C@@H]2CN(Cc3ccccc3)C[C@@H]2COCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
FUCA1 P04066 2/20 0.41
S1PR5 Q9H228 1/20 0.40
MTAP Q13126 1/20 0.40
CCR5 P51681 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
RORC P51449 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL13090653 0.82 GBA1 (0.49) GBA1FUCA1S1PR5MTAPBCHE
SCHEMBL500382 0.76 GBA1 (0.58) GBA1FUCA1S1PR5
SCHEMBL500383 0.76 GBA1 (0.58) GBA1FUCA1S1PR5
SCHEMBL8171730 0.76 FUCA1 (0.53) FUCA1S1PR5CTSLCTSBCTSK
SCHEMBL7706510 0.74 DRD2 (0.46) BCHEACHECTSLCTSBCTSK
SCHEMBL4737243 0.73 BCHE (0.48) BCHEACHECTSLCTSBCTSK
SCHEMBL13201650 0.71 GBA1 (0.46) GBA1FUCA1S1PR5CCR5ACHE
SCHEMBL2454394 0.70 GBA1 (0.66) GBA1FUCA1S1PR5
SCHEMBL403643 0.70 GBA1 (0.66) GBA1FUCA1S1PR5
SCHEMBL440211 0.70 GBA1 (0.66) GBA1FUCA1S1PR5

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
US-20060128789-A1 Process for the preparation of substituted pyrrolidine derivatives and intermediates BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-15 US claimed
US-7230119-B2 Process for the preparation of substituted pyrrolidine derivatives and intermediates BIOCRYST PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-7230119-B2 Process for the preparation of substituted pyrrolidine derivatives and intermediates BIOCRYST PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20060128789-A1 Process for the preparation of substituted pyrrolidine derivatives and intermediates BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060128789-A1 Process for the preparation of substituted pyrrolidine derivatives and intermediates PNISR, PNMT, GRHPR GBA1 4230/4885FUCA1 4070/4885S1PR5 130/4885

“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.