SCHEMBL20115401

SCHEMBL20115401

COCCN1CC2[C@H](C)[C@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.46
HSD11B1 P28845 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAP3K12 Q12852 10/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL17814858 1.00 GBA1 (0.46) GBA1HSD11B1CYP2D6SLC6A2SLC6A4
SCHEMBL19938007 0.81 GBA1 (0.48) GBA1HSD11B1CYP2D6SLC6A2SLC6A4
SCHEMBL18484868 0.81
SCHEMBL21986390 0.80 GBA1 (0.44) GBA1HSD11B1CYP2D6SLC6A2SLC6A4
SCHEMBL12683386 0.79 GBA1 (0.38) GBA1HSD11B1CYP2D6SLC6A2SLC6A4
SCHEMBL16472416 0.79 GBA1 (0.38) GBA1HSD11B1CYP2D6SLC6A2SLC6A4
SCHEMBL24461156 0.78 GBA1 (0.43) GBA1HSD11B1CYP2D6SLC6A2SLC6A4
SCHEMBL26184220 0.78 GBA1 (0.43) GBA1HSD11B1CYP2D6SLC6A2SLC6A4
SCHEMBL15318697 0.77 GBA1 (0.46) GBA1HSD11B1CYP2D6SLC6A2SLC6A4
SCHEMBL24825915 0.77 GBA1 (0.46) GBA1HSD11B1CYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200171029-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-06-04 US disclosed
US-RE47848-E1 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2020-02-11 US disclosed
US-10010549-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2018-07-03 US disclosed
US-20180133219-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-05-17 US disclosed
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 (4 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 14/4885HSD11B1 279/4885CYP2D6 139/4885
US-10010549-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, HAX1 GBA1 26/4885HSD11B1 181/4885CYP2D6 113/4885
US-20200171029-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH GBA1 14/4885HSD11B1 279/4885CYP2D6 139/4885
US-20180133219-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 GBA1 26/4885HSD11B1 181/4885CYP2D6 113/4885

“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.