SCHEMBL21772872

SCHEMBL21772872

CN(C(=O)C1CC1)[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 8/20 0.47
DPP4 P27487 1/20 0.43
KCNH2 Q12809 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
CCR5 P51681 1/20 0.42
USP30 Q70CQ3 2/20 0.40
HSD11B1 P28845 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.37
KDM5A P29375 1/20 0.36

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
SCHEMBL5900840 0.82 VNN1 (0.45) VNN1DPP4DPP8USP30HSD11B1
SCHEMBL5901127 0.82 VNN1 (0.45) VNN1DPP4DPP8USP30HSD11B1
SCHEMBL2990621 0.82 VNN1 (0.45) VNN1DPP4DPP8USP30HSD11B1
SCHEMBL21782989 0.80 USP30 (0.58) VNN1USP30HSD11B1
SCHEMBL21464535 0.80 L3MBTL3 (0.50) USP30L3MBTL3
SCHEMBL2883536 0.80 L3MBTL3 (0.50) USP30L3MBTL3
SCHEMBL2883532 0.80 L3MBTL3 (0.50) USP30L3MBTL3
SCHEMBL13939912 0.79 CCR5 (0.44) VNN1DPP4KCNH2DPP8DPP9
Hydrochloric Acid SCHEMBL3404368 0.78 L3MBTL3 (0.49) USP30L3MBTL3
Hydrochloric Acid SCHEMBL3427002 0.78 L3MBTL3 (0.49) USP30L3MBTL3

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-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-04 US disclosed
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-15 US disclosed
US-20200069663-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-03-05 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 (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-20200069663-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH VNN1 23/4885DPP4 1631/4885KCNH2 2224/4885
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH VNN1 23/4885DPP4 1631/4885KCNH2 2224/4885
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH VNN1 23/4885DPP4 1631/4885KCNH2 2224/4885

“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.