SCHEMBL21753328

SCHEMBL21753328

Cc1cc(CCl)ccc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 4/20 0.44
WNT3A P56704 2/20 0.41
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
METAP1 P53582 3/20 0.41
LMNA P02545 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
GPR39 O43194 2/20 0.39
TGFBR1 P36897 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
PKM P14618 2/20 0.37

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
SCHEMBL12319860 0.85 NPC1 (0.45) KDM4ENPC1WNT3ACCR1CCR5
SCHEMBL24791484 0.84 NPC1 (0.44) KDM4ENPC1WNT3ACCR1CCR5
SCHEMBL30083544 0.84 NPC1 (0.44) KDM4ENPC1WNT3ACCR1CCR5
SCHEMBL19373733 0.81 NPC1 (0.43) KDM4ENPC1WNT3ACCR1CCR5
SCHEMBL23541875 0.81 KDM4E (0.41) KDM4ENPC1WNT3ACCR1CCR5
SCHEMBL12319846 0.80 SKP2 (0.47) KDM4ENPC1WNT3ACYP1A2POLB
SCHEMBL28234716 0.79 MAP4K4 (0.36) HIF1ACYP1A2TP53MAPK1OPRK1
SCHEMBL4337894 0.78 NPC1 (0.50) KDM4ENPC1CCR1CCR5CCR8
SCHEMBL4550924 0.78 KDM4E (0.50) KDM4ENPC1CCR1CCR5CCR8
SCHEMBL29901536 0.78 KDM4E (0.50) KDM4ENPC1CCR1CCR5CCR8

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-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
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 KDM4E 2209/4885NPC1 612/4885WNT3A 2322/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP KDM4E 1934/4885NPC1 596/4885WNT3A 2169/4885

“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.