SCHEMBL23710201

SCHEMBL23710201

COC(=O)N1CCO[C@@H](CN)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 10/20 0.44
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37
GLA P06280 1/20 0.36
KDM1A O60341 1/20 0.35
ENPP2 Q13822 1/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL23710003 1.00 PDK1 (0.44) PDK1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23698671 1.00 PDK1 (0.44) PDK1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23710002 0.86 TSHR (0.51) PDK1CHEK1CHEK2ENPP2TSHR
SCHEMBL7371870 0.86 TSHR (0.51) PDK1CHEK1CHEK2ENPP2TSHR
SCHEMBL22167711 0.85 PDK1 (0.45) PDK1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22167707 0.85 PDK1 (0.45) PDK1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22164071 0.85 PDK1 (0.54) PDK1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23710198 0.85 PDK1 (0.45) PDK1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22164070 0.85 PDK1 (0.54) PDK1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20797872 0.84 PDK1 (0.48) PDK1CHEK1CHEK2KDM1AENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
EP-4198034-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-21 EP disclosed
EP-4198034-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-21 EP disclosed
WO-2022033567-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海拓界生物医药科技有限公司 2022-02-17 WO disclosed
EP-3858832-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-08-04 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-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF P2RX7, P2RX3, P2RX5 PDK1 395/4885CHRNB2 4277/4885CHRNA4 3860/4885

“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.