SCHEMBL21753379

SCHEMBL21753379

ClCc1ccc(-n2cccn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
CHRNA7 P36544 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
CHRM1 P11229 1/20 0.38
BRS3 P32247 2/20 0.36
LMNA P02545 2/20 0.36
NLRP3 Q96P20 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP30 Q70CQ3 1/20 0.34
KIT P10721 1/20 0.33

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
SCHEMBL27163167 0.93 NOTUM (0.45) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL30045520 0.83 NOTUM (0.47) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL21753381 0.83 NOTUM (0.47) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL13114696 0.83 NOTUM (0.47) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL13263640 0.81 NOTUM (0.45) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL5568603 0.80 NOTUM (0.44) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL13233244 0.80 BRS3 (0.50) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL31366246 0.77 NOTUM (0.61) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL27513112 0.77 NOTUM (0.61) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL27163045 0.77 NOTUM (0.51) NOTUMBRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 US disclosed
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
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO 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 (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-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP NOTUM 476/4885KDM4E 2209/4885ALDH1A1 1182/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP NOTUM 358/4885KDM4E 1934/4885ALDH1A1 1170/4885
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 NOTUM 3162/4885KDM4E 1134/4885ALDH1A1 283/4885

“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.