SCHEMBL25190847

SCHEMBL25190847

CC(=O)c1ccnc(OCC(C)(C)O)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 4/20 0.41
ACACB O00763 6/20 0.35
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
PTGS2 P35354 3/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
MAOB P27338 1/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK2 O75116 1/20 0.32

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
SCHEMBL31438598 1.00 SSTR4 (0.41) SSTR4ACACBKDM4EASPHKDM8
SCHEMBL25194810 0.87 SSTR4 (0.38) SSTR4ACACBKDM4EASPHKDM8
SCHEMBL25188249 0.85 SSTR4 (0.36) SSTR4ACACBKDM4EASPHKDM8
SCHEMBL25197566 0.78 PTGS2 (0.34) SSTR4PTGS2L3MBTL1
SCHEMBL31438493 0.77 SSTR4 (0.36) SSTR4ACACBPTGS2
SCHEMBL29023534 0.77 SSTR4 (0.36) SSTR4ACACBPTGS2
SCHEMBL22968785 0.69 KDM4E (0.33) SSTR4KDM4EASPHKDM8L3MBTL1
SCHEMBL9928615 0.68 SLC6A9 (0.42) KDM4EASPHKDM8L3MBTL1
SCHEMBL25211812 0.68 KDM4E (0.41) SSTR4KDM4EASPHKDM8MAOB
SCHEMBL30345359 0.68 KDM4E (0.41) SSTR4KDM4EASPHKDM8MAOB

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 SSTR4 4302/4885ACACB 2538/4885KDM4E 1528/4885

“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.