SCHEMBL21753409

SCHEMBL21753409

Cc1cc(-c2ccccn2)ccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
P2RX7 Q99572 1/20 0.42
MGLL Q99685 1/20 0.42
RET P07949 1/20 0.41
RIPK1 Q13546 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL14595530 0.85 CBFB (0.51) CBFBKDM4ENPC1CYP1A2CYP2D6
SCHEMBL21753236 0.84 NPC1 (0.44) KDM4ENPC1CYP1A2CYP2D6CYP19A1
SCHEMBL25455763 0.81 NPC1 (0.47) KDM4ENPC1CYP1A2CYP2D6CYP19A1
SCHEMBL12117401 0.81 NPC1 (0.44) KDM4ENPC1CYP1A2CYP2D6CYP19A1
SCHEMBL21769973 0.81 CBFB (0.53) CBFBKDM4ENPC1CYP1A2CYP2D6
SCHEMBL21753230 0.81 KDM4E (0.47) CBFBKDM4ECYP1A2CYP2D6CYP19A1
SCHEMBL25480188 0.81 CYP2D6 (0.45) CYP2D6CYP19A1CYP2C9CYP2C19DHODH
SCHEMBL7662434 0.79 KDM4E (0.56) CBFBKDM4ENPC1CYP1A2CYP2D6
SCHEMBL172718 0.78 HSD17B1 (0.51) KDM4ENPC1CYP1A2RETRIPK1
SCHEMBL6224902 0.77 CBFB (0.44) CBFBKDM4ENPC1CYP1A2CYP2D6

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 CBFB 2674/4885KDM4E 2209/4885NPC1 612/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP CBFB 2508/4885KDM4E 1934/4885NPC1 596/4885

“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.