SCHEMBL237773

SCHEMBL237773

NC(=O)C1(c2ccc(Br)cc2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
HDAC1 Q13547 3/20 0.47
ALDH1A1 P00352 2/20 0.44
HDAC4 P56524 3/20 0.42
OPRL1 P41146 1/20 0.42
AKR1C1 Q04828 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
HSD11B1 P28845 3/20 0.39
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 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
SCHEMBL1141468 0.96 LMNA (0.53) LMNAHDAC1ALDH1A1HDAC4OPRL1
SCHEMBL29604970 0.94 LMNA (0.55) LMNAHDAC1ALDH1A1HDAC4OPRL1
SCHEMBL2130769 0.92 OPRL1 (0.44) LMNAHDAC1ALDH1A1HDAC4OPRL1
SCHEMBL15349227 0.84 HDAC1 (0.53) LMNAHDAC1ALDH1A1OPRL1HDAC3
SCHEMBL30711945 0.84 AKT1 (0.45) LMNAHDAC1ALDH1A1OPRL1
SCHEMBL19670034 0.82 LMNA (0.50) LMNAHDAC1ALDH1A1HDAC4OPRL1
SCHEMBL1492737 0.82 AKR1C1 (0.62) HDAC1ALDH1A1HDAC4AKR1C1PRKAB2
SCHEMBL19331323 0.82 ALDH1A1 (0.41) LMNAHDAC1ALDH1A1HDAC4OPRL1
SCHEMBL10112759 0.81 OPRM1 (0.47) LMNAALDH1A1OPRL1
SCHEMBL15143175 0.81 HDAC1 (0.40) LMNAHDAC1ALDH1A1HDAC4OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023151293-A1 P-PHENYLCYCLOBUTANAMIDE ROSEMARY COMPOUND AS HYALURONIDASE INHIBITOR AND APPLICATION THEREOF IN BEAUTY PRODUCT 北京青颜博识健康管理有限公司 2023-08-17 WO claimed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
WO-2024108009-A1 DYRK/CLK PROTACS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-05-23 WO disclosed
WO-2024108009-A1 DYRK/CLK PROTACS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-05-23 WO disclosed
WO-2023151293-A1 P-PHENYLCYCLOBUTANAMIDE ROSEMARY COMPOUND AS HYALURONIDASE INHIBITOR AND APPLICATION THEREOF IN BEAUTY PRODUCT 北京青颜博识健康管理有限公司 2023-08-17 WO disclosed
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
US-20180273495-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-09-27 US disclosed
EP-3362445-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-08-22 EP disclosed
US-9834556-B2 Process of preparing 3-(3-(4-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-B]pyridin-2-YL)pyridin-2-amine ARQULE, INC. (US) 2017-12-05 US disclosed
EP-2104669-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2009-09-30 EP disclosed
US-7576209-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-7576209-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-7576209-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-20080161317-A1 Inhibitors of Akt activity MERCK SHARP & DOHME LLC 2008-07-03 US disclosed
US-20080161317-A1 Inhibitors of Akt activity MERCK SHARP & DOHME LLC 2008-07-03 US disclosed
US-20080161317-A1 Inhibitors of Akt activity MERCK SHARP & DOHME LLC 2008-07-03 US disclosed
WO-2008070041-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2008-06-12 WO disclosed
WO-2008070016-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2008-06-12 WO 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 (2 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-20080161317-A1 Inhibitors of Akt activity PIK3CD, PIK3CA, PIK3CG LMNA 2119/4885HDAC1 356/4885ALDH1A1 3680/4885
US-20180273495-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC6, HDAC2 LMNA 3026/4885HDAC1 1/4885ALDH1A1 554/4885

“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.