Sugi Predict

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SCHEMBL25190881

SCHEMBL25190881

OB(O)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ NR1I2 O75469 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ TBXA2R P21731 2/20 0.33
▸ CCKBR P32239 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ NR1H4 Q96RI1 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ KCNN4 O15554 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TRPM2 O94759 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL1765841 0.76 CYP11B1 (0.40) CYP11B1CYP11B2NR1I2ADORA3TBXA2R
SCHEMBL4806085 0.73 CYP11B1 (0.43) CYP11B1CYP11B2NR1I2ADORA3TBXA2R
SCHEMBL16371592 0.73 CYP11B1 (0.47) CYP11B1CYP11B2NR1I2ADORA3TBXA2R
SCHEMBL2204500 0.73 CYP11B1 (0.43) CYP11B1CYP11B2NR1I2ADORA3TBXA2R
SCHEMBL8481796 0.72 CYP11B1 (0.40) CYP11B1CYP11B2NR1I2ADORA3TBXA2R
SCHEMBL27804377 0.72 CYP11B1 (0.40) CYP11B1CYP11B2NR1I2ADORA3TBXA2R
SCHEMBL11891095 0.72 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1KMT2ASMN1; SMN2
SCHEMBL7683395 0.72 ALDH1A1 (0.46) CYP11B1CYP11B2NR1I2ADORA3TBXA2R
SCHEMBL9239487 0.72 CYP11B1 (0.37) CYP11B1CYP11B2NR1I2ADORA3TBXA2R
SCHEMBL6613495 0.72 HDAC3 (0.40) CYP11B1CYP11B2TBXAS1CYP2C19PTGS2

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 4 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
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 CYP11B1 2405/4885CYP11B2 2112/4885NR1I2 992/4885

“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.