SCHEMBL6495439

SCHEMBL6495439

COC(=O)NC1CCC(C)(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
G6PD P11413 2/20 0.43
TSHR P16473 1/20 0.41
HPGDS O60760 1/20 0.41
MAPT P10636 2/20 0.40
KCNA3 P22001 1/20 0.39
EPHX2 P34913 1/20 0.38
EPHX1 P07099 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
CCNE1 P24864 4/20 0.35
CDK2 P24941 4/20 0.35
GSK3B P49841 4/20 0.35
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
POLB P06746 1/20 0.33
OPRL1 P41146 1/20 0.33
KCNH2 Q12809 1/20 0.33
HPGD P15428 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
SCHEMBL22311168 1.00 G6PD (0.43) G6PDTSHRHPGDSMAPTKCNA3
SCHEMBL22310688 1.00 G6PD (0.43) G6PDTSHRHPGDSMAPTKCNA3
SCHEMBL6483027 0.82 EPHX1 (0.40) HPGDSEPHX1CCNE1CDK2GSK3B
SCHEMBL2195440 0.82 BTK (0.50) KCNA3EPHX2EPHX1
SCHEMBL1033706 0.82 BTK (0.50) KCNA3EPHX2EPHX1
SCHEMBL12508237 0.82 BTK (0.50) KCNA3EPHX2EPHX1
SCHEMBL8464579 0.80 EPHX1 (0.46) TSHRMAPTEPHX2EPHX1NPSR1
SCHEMBL2050427 0.80
SCHEMBL27910624 0.80 EPHX2 (0.51) G6PDTSHRMAPTKCNA3EPHX2
SCHEMBL19132827 0.79 TSHR (0.45) G6PDTSHRMAPTKCNA3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106397418-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE公司 2017-02-15 CN disclosed
CN-103167867-B Solid dispersion containing apoptosis-inducing medicament ABBVIE 公司 2016-12-21 CN disclosed
CN-103153993-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (BS) 2016-06-01 CN disclosed
CN-102947285-B Sulfonamide derivatives as BCL-2-selective apoptosis inducers for the treatment of cancer and immune diseases ABBVIE (US) 2015-08-26 CN disclosed
CN-102892765-B Cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL SA 2015-04-29 CN disclosed
CN-103167867-A Solid dispersions containing an apoptosis-inducing agent ABBOTT LAB 2013-06-19 CN disclosed
CN-103153993-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-06-12 CN disclosed
CN-103097352-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-05-08 CN disclosed
CN-102947285-A Sulfonamide derivatives as BCL-2-selective apoptosis inducers for the treatment of cancer and immune diseases ABBOTT LAB 2013-02-27 CN disclosed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 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-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR G6PD 3958/4885TSHR 239/4885HPGDS 4424/4885

“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.