SCHEMBL18603191

SCHEMBL18603191

CCCCO[C@H]1CCC[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.45
PPP5C P53041 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
NPY4R P50391 1/20 0.34
NPY5R Q15761 1/20 0.34
GBA2 Q9HCG7 2/20 0.33
GSR P00390 2/20 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
SCHEMBL8969980 1.00 GBA1 (0.45) GBA1PPP5CCA1CA2CA4
SCHEMBL18605847 1.00 GBA1 (0.45) GBA1PPP5CCA1CA2CA4
SCHEMBL7195617 0.96 GBA1 (0.45) GBA1PPP5CCA1CA2CA4
SCHEMBL13326285 0.96 GBA1 (0.45) GBA1PPP5CCA1CA2CA4
SCHEMBL5831411 0.94 GBA1 (0.44) GBA1PPP5CCA1CA2CA4
SCHEMBL8970045 0.94 GBA1 (0.51) GBA1GBA2
SCHEMBL8969080 0.94 GBA1 (0.44) GBA1PPP5CCA1CA2CA4
SCHEMBL19526296 0.94 GBA1 (0.44) GBA1PPP5CCA1CA2CA4
SCHEMBL8969385 0.92 GBA1 (0.54) GBA1GBA2
SCHEMBL8970314 0.92 GBA1 (0.54) GBA1GBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 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-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK2, NTRK3, NTRK1 GBA1 1485/4885PPP5C 114/4885CA1 4872/4885

“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.