SCHEMBL21753337

SCHEMBL21753337

ClCc1ccc(-c2cnccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
BRS3 P32247 1/20 0.44
MET P08581 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
MAPT P10636 1/20 0.39
NPY5R Q15761 1/20 0.39
WNT3A P56704 4/20 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
SCHEMBL11541937 0.83 CYP2D6 (0.60) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL6851833 0.81 CYP2D6 (0.51) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL2563996 0.81 CYP2D6 (0.51) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL7708187 0.81 CYP2D6 (0.60) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL1919022 0.81 MKNK1 (0.55) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL21222736 0.81 CYP2A6 (0.55) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL5377120 0.79 PIM2 (0.47) CYP2D6CYP19A1CYP2C9CYP2C19PIM1
SCHEMBL11824593 0.79 CYP2D6 (0.43) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL6852664 0.78 CYP2D6 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL6854228 0.78 CYP2D6 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 US disclosed
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO 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 (2 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-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP CYP2D6 1936/4885CYP19A1 2176/4885CYP2C9 2837/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP CYP2D6 1971/4885CYP19A1 1954/4885CYP2C9 2788/4885

“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.