SCHEMBL25201867

SCHEMBL25201867

CC(C)(C)[Si](C)(C)OCc1cccc(C(=O)CBr)c1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
MRGPRX4 Q96LA9 11/20 0.37
PTPN1 P18031 2/20 0.36
KAT6A Q92794 1/20 0.33
HPGDS O60760 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TACR1 P25103 1/20 0.32
SGMS2 Q8NHU3 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
SCHEMBL20436600 0.85 BACE1 (0.43) BACE1MRGPRX4KAT6AMAPTHPGD
SCHEMBL30630386 0.83 MRGPRX4 (0.50) BACE1MRGPRX4
SCHEMBL29100989 0.83 MRGPRX4 (0.50) BACE1MRGPRX4
SCHEMBL25189943 0.79 SSTR4 (0.34) BACE1TACR1
SCHEMBL14992909 0.76 BACE1 (0.38) BACE1MAPTHPGD
SCHEMBL15000653 0.76 BACE1 (0.43) BACE1TACR1
SCHEMBL3076782 0.76 BACE1 (0.40) BACE1
SCHEMBL20436602 0.76 BACE1 (0.38) BACE1MRGPRX4KAT6A
SCHEMBL15000893 0.75 CYP4F2 (0.45) BACE1
SCHEMBL28247356 0.75 BACE1 (0.41) BACE1MRGPRX4MAPTHPGDTACR1

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
CN-116134035-B 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 2025-03-11 CN disclosed
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

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 BACE1 1073/4885MRGPRX4 680/4885PTPN1 2738/4885

“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.