SCHEMBL31400331

SCHEMBL31400331

CC1(C)OB(c2cncc(-c3ncco3)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.38
LPL P06858 5/20 0.36
LIPG Q9Y5X9 5/20 0.36
BACE2 Q9Y5Z0 3/20 0.36
HPGDS O60760 1/20 0.35
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
DGAT1 O75907 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
LTA4H P09960 1/20 0.31
P2RX7 Q99572 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL12266258 1.00 BACE1 (0.38) BACE1LPLLIPGBACE2HPGDS
SCHEMBL12314768 0.82 BACE1 (0.35) BACE1BACE2HPGDSCCNCCDK8
SCHEMBL17102144 0.80 LIPG (0.44) BACE1LPLLIPGBACE2HPGDS
SCHEMBL4795107 0.79 LPL (0.54) LPLLIPGHPGDSDGAT1LTA4H
SCHEMBL3798558 0.77 NOTUM (0.39) BACE1LPLLIPGBACE2
SCHEMBL12373176 0.76 LPL (0.44) LPLLIPGP2RX7FFAR1
SCHEMBL15496389 0.75 LPL (0.47) BACE1LPLLIPG
SCHEMBL1502728 0.74 LMNA (0.40) BACE1LPLLIPGBACE2FFAR1
SCHEMBL1502627 0.73 KDM4E (0.40) LPLLIPGDGAT1PDGFRBKDR
SCHEMBL21201392 0.73 FFAR1 (0.36) LPLLIPGDGAT1PDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059165-A1 PIPERIDINYLPYRIDINYLCARBONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-02-20 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 (1 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-20250059165-A1 PIPERIDINYLPYRIDINYLCARBONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN QPCT, QPCTL, GLUL BACE1 1751/4885LPL 1653/4885LIPG 1665/4885

“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.