SCHEMBL17809705

SCHEMBL17809705

CC(C)(C)[C@H]1[C@@H]2CN(CCCO)C[C@@H]21

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.36
GLB1 P16278 1/20 0.34
GUSB P08236 2/20 0.32

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
SCHEMBL16216895 1.00 GBA1 (0.36) GBA1GLB1GUSB
SCHEMBL18806144 0.88 GBA1 (0.32) GBA1
SCHEMBL20109895 0.77 GBA1 (0.39) GBA1GLB1GUSB
SCHEMBL19885250 0.77 GBA1 (0.37) GBA1GLB1GUSB
SCHEMBL5044221 0.72 GBA1 (0.39) GBA1GLB1GUSB
SCHEMBL20115395 0.72 GBA1 (0.42) GBA1
SCHEMBL22098589 0.72 GBA1 (0.42) GBA1
SCHEMBL13260648 0.72 ATM (0.35)
SCHEMBL17282012 0.71 GBA1 (0.37) GBA1GLB1GUSB
SCHEMBL14827671 0.69 ALDH1A1 (0.37) GBA1GLB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028954-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2018-07-24 US disclosed
US-20170239246-A9 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-08-24 US disclosed
US-20160158234-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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 (3 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-20170239246-A9 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH GBA1 14/4885GLB1 802/4885GUSB 1700/4885
US-20160158234-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH GBA1 14/4885GLB1 802/4885GUSB 1700/4885
US-10028954-B2 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.