SCHEMBL20109895

SCHEMBL20109895

C[C@@H]1C2CN(CCCO)C[C@H]21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.39
GLB1 P16278 1/20 0.38
GUSB P08236 2/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL18820447 0.86 MAPK1 (0.37) GBA1GLB1
SCHEMBL22991850 0.79 GLB1 (0.54) GBA1GLB1GUSBEBPSIGMAR1
SCHEMBL6569119 0.77 ALDH1A1 (0.44) GBA1GLB1
SCHEMBL4084136 0.77 ALDH1A1 (0.44) GBA1GLB1
SCHEMBL5044221 0.77 GBA1 (0.39) GBA1GLB1GUSB
SCHEMBL16216895 0.77 GBA1 (0.36) GBA1GLB1GUSB
SCHEMBL17809705 0.77 GBA1 (0.36) GBA1GLB1GUSB
SCHEMBL2444898 0.76 SIGMAR1 (0.47) GBA1GLB1SIGMAR1
SCHEMBL1469874 0.76 SIGMAR1 (0.62) EBPSIGMAR1
SCHEMBL1469872 0.76 SIGMAR1 (0.62) EBPSIGMAR1

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-20180117044-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-05-03 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-20180117044-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH GBA1 14/4885GLB1 802/4885GUSB 1700/4885

“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.