SCHEMBL25190850

SCHEMBL25190850

Fc1cccnc1C1COC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MPI P34949 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 3/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
P2RX7 Q99572 6/20 0.33
RIPK1 Q13546 2/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL31438527 1.00 KDM4E (0.34) KDM4EMPIL3MBTL1HTR1ASLC6A2
SCHEMBL23853811 0.82 HTR1A (0.40) KDM4EMPIL3MBTL1HTR1ASLC6A2
SCHEMBL2563345 0.78 HTR1A (0.38) KDM4EMPIL3MBTL1HTR1ASLC6A2
SCHEMBL29139742 0.76 RIPK1 (0.38) KDM4EMPIL3MBTL1HTR1ASLC6A2
SCHEMBL22778029 0.76 KDM4E (0.37) KDM4EMPIL3MBTL1HTR1ASLC6A2
SCHEMBL29714391 0.76 KDM4E (0.37) KDM4EMPIL3MBTL1HTR1ASLC6A2
SCHEMBL18136226 0.74 KAT2B (0.38) KDM4EMPIL3MBTL1HTR1ASLC6A2
SCHEMBL3784551 0.74 HTR1A (0.55) HTR1ASLC6A2SLC6A4
SCHEMBL24858155 0.73 IDH1 (0.35) PDE1APDE1BPDE1C
SCHEMBL30516598 0.73 P2RX7 (0.39) KDM4EMPIL3MBTL1HTR1ASLC6A2

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-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 US disclosed
EP-4185588-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS Janssen Pharmaceutica NV (BE) 2023-05-31 EP disclosed
CN-116134035-A 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2023-05-16 CN 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-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 KDM4E 1528/4885MPI 872/4885L3MBTL1 4443/4885

“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.