SCHEMBL328838

SCHEMBL328838

COC(=O)C12CC3CC(C1)C(N)C(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
HSD11B1 P28845 6/20 0.42
SCN9A Q15858 2/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HSD11B2 P80365 2/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL12578570 1.00 GLA (0.42) GLAHSD11B1SCN9AALDH1A1MAPT
SCHEMBL13579581 1.00 GLA (0.42) GLAHSD11B1SCN9AALDH1A1MAPT
SCHEMBL1896218 1.00 GLA (0.42) GLAHSD11B1SCN9AALDH1A1MAPT
SCHEMBL1844624 1.00 GLA (0.42) GLAHSD11B1SCN9AALDH1A1MAPT
SCHEMBL1844620 1.00 GLA (0.42) GLAHSD11B1SCN9AALDH1A1MAPT
SCHEMBL1844621 1.00 GLA (0.42) GLAHSD11B1SCN9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL706736 0.98 HSD11B1 (0.41) GLAHSD11B1SCN9AALDH1A1MAPT
Methyl Alcohol SCHEMBL5319479 0.98 HSD11B1 (0.41) GLAHSD11B1SCN9AALDH1A1MAPT
Methyl Alcohol SCHEMBL5318301 0.97 HSD11B1 (0.40) GLAHSD11B1SCN9AALDH1A1MAPT
SCHEMBL15831171 0.89 GLA (0.47) GLAHSD11B1SCN9AALDH1A1MAPT

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929675-B Adamantane derivatives as focal adhesion kinase inhibitors 三进制药株式会社 2024-02-13 CN disclosed
US-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE INCHEON NATIONAL UNIVERSITY RESEARCH & BUSINESS FOUNDATION (KR) 2023-02-16 US disclosed
EP-4074697-A2 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE Samjin Pharmaceutical Co., Ltd. (KR) 2022-10-19 EP disclosed
CN-114929675-A Novel adamantane derivatives as inhibitors of focal adhesion kinase 三进制药株式会社 2022-08-19 CN disclosed
WO-2021111311-A2 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE 삼진제약주식회사 2021-06-10 WO disclosed
WO-2021111311-A2 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE 삼진제약주식회사 2021-06-10 WO disclosed
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
EP-2865664-B1 NOVEL COMPOUND HAVING ABILITY TO INHIBIT 11B-HSD1 ENZYME OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT BAMICHEM CO LTD (KR) 2017-11-01 EP disclosed
WO-2017153235-A1 SUBSTITUTED N-CYCLO-3-ARYL-1-NAPHTHAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-14 WO disclosed
US-9464044-B2 Compound having ability to inhibit 11Beta-HSD1 enzyme or pharmaceutically acceptable salt thereof, method for producing same, and pharmaceutical composition containing same as active ingredient AHN-GOOK PHARMACEUTICAL CO., LTD. (KR) 2016-10-11 US disclosed
EP-1846363-A2 ADAMANTYL DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-10-24 EP disclosed
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US disclosed
US-20070179186-A1 for the treatment of non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome and conditions because of excessive glucocorticoid action; E-4-(2-methyl-2-phenoxy-propionylamino)-adamantane-1-carboxylic acid amide ABBVIE INC. 2007-08-02 US disclosed
US-7238724-B2 Antidiabetic agents; hyperlipemic agents; obestity; immunomoderator; atherosclerosis ABBOTT LABORATORIES (US) 2007-07-03 US disclosed
US-7217838-B2 Compounds such as E-4-{[1-(4-Chloro-phenyl)-cyclobutanecarbonyl]-amino}-adamantane-1-carboxylic acid; fortherapy of non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome and diseases and conditions that are mediated by excessive glucocorticoid action ABBOTT LABORATORIES (US) 2007-05-15 US disclosed
US-20060281773-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. 2006-12-14 US disclosed
WO-2006074244-A2 ADAMANTYL DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2006-07-13 WO disclosed
US-20060148871-A1 Metabolic stabilization of substituted adamantane ABBOTT LABORATORIES 2006-07-06 US disclosed
US-20060149070-A1 Compounds such as E-4-{[1-(4-Chloro-phenyl)-cyclobutanecarbonyl]-amino}-adamantane-1-carboxylic acid, for therapy of non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome and diseases and conditions that are mediated by excessive glucocorticoid action ABBVIE INC. 2006-07-06 US disclosed
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-29 US 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 (7 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-20070179186-A1 for the treatment of non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome and conditions because of excessive glucocorticoid action; E-4-(2-methyl-2-phenoxy-propionylamino)-adamantane-1-carboxylic acid amide HSD17B1, HSD3B1, HSD17B2 GLA 1807/4885HSD11B1 6/4885SCN9A 2515/4885
US-20060149070-A1 Compounds such as E-4-{[1-(4-Chloro-phenyl)-cyclobutanecarbonyl]-amino}-adamantane-1-carboxylic acid, for therapy of non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome and diseases and conditions that are mediated by excessive glucocorticoid action HSD17B1, HSD11B1, HSD3B1 GLA 1525/4885HSD11B1 2/4885SCN9A 2612/4885
US-20060281773-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme HSD11B1, HSD17B1, HSD11B2 GLA 1267/4885HSD11B1 1/4885SCN9A 2388/4885
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 GLA 841/4885HSD11B1 544/4885SCN9A 2863/4885
US-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE PTK2, DAPK2, DAPK1 GLA 3283/4885HSD11B1 3564/4885SCN9A 718/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 GLA 841/4885HSD11B1 544/4885SCN9A 2863/4885
US-20060148871-A1 Metabolic stabilization of substituted adamantane HSD11B1, HSD17B1, HSD11B2 GLA 996/4885HSD11B1 1/4885SCN9A 2110/4885

“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.