SCHEMBL383987

SCHEMBL383987

O=C(OC(=O)[C@@H]1CCCN1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.48
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DPP4 P27487 2/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
CHRNA7 P36544 1/20 0.41
ANPEP P15144 1/20 0.41
SCN4A P35499 1/20 0.40
CTSC P53634 1/20 0.40
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.39

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
SCHEMBL28789391 1.00 ELANE (0.48) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL21385077 0.98 ELANE (0.47) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL28850249 0.86 F2 (0.52) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL9807318 0.85 ELANE (0.46) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL21646169 0.83 ALDH1A1 (0.47) CYP2D6CYP1A2CYP2C19CHRNA7LMNA
SCHEMBL10903756 0.82 DPP4 (0.47) ELANEDPP4CHRNA7
SCHEMBL27129010 0.82 ALDH1A1 (0.44) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL8691039 0.82 CTSC (0.45) DPP4CTSC
SCHEMBL27125986 0.82 ALDH1A1 (0.44) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL11153901 0.80 KMT2A (0.47) ELANECYP3A4CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287129-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2024-08-29 US disclosed
US-11981704-B2 Decarboxylative conjugate additions and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-05-14 US disclosed
CN-117377668-A Inhalant formulations of PGDH inhibitors and methods of use thereof 迈欧伏特治疗公司 2024-01-09 CN disclosed
CN-114778743-B Detection method of trace chiral isomer D-proline in L-proline 常州制药厂有限公司 2023-08-15 CN disclosed
CN-114778743-A Method for detecting trace chiral isomer D-proline in L-proline 常州制药厂有限公司 2022-07-22 CN disclosed
US-20220002342-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2022-01-06 US disclosed
US-11136349-B2 Decarboxylative conjugate additions and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-10-05 US disclosed
CN-110139856-A The double inhibitor of VISTA and PD-1 access 奥列基因发现技术有限公司 2019-08-16 CN disclosed
CN-106795135-B Synthesis of isoflavanes and intermediates thereof 系统生物股份有限公司 2019-08-09 CN disclosed
CN-110078743-A Novel imidazoles-acyclic derivatives as modulators of kinase activity 默克专利有限公司 2019-08-02 CN disclosed
EP-1883402-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-02-06 EP disclosed
EP-1877379-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-01-16 EP disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
WO-2006109075-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 WO disclosed
WO-2006109085-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 WO disclosed
EP-0486386-B1 Novel derivatives of N-benzoylproline, process for their preparation and drugs containing them ADIR (FR) 1996-07-17 EP disclosed
EP-0486386-A2 Novel derivatives of N-benzoylproline, process for their preparation and drugs containing them ADIR ET COMPAGNIE (FR) 1992-05-20 EP disclosed
US-4308202-A Prolylphenylalanylarginine derivatives, process for producing same and method for measuring activity of enzymes using same TORII & CO., LTD. (JP) 1981-12-29 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-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 ELANE 4174/4885CYP3A4 917/4885CYP2D6 108/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 ELANE 1225/4885CYP3A4 2059/4885CYP2D6 532/4885
US-20220002342-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT ELANE 1358/4885CYP3A4 2955/4885CYP2D6 2964/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 ELANE 4191/4885CYP3A4 912/4885CYP2D6 108/4885
US-20240287129-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT ELANE 1358/4885CYP3A4 2955/4885CYP2D6 2964/4885
US-11981704-B2 Decarboxylative conjugate additions and applications thereof PTMS, DNPEP, QPCT ELANE 1358/4885CYP3A4 2955/4885CYP2D6 2964/4885
US-11136349-B2 Decarboxylative conjugate additions and applications thereof PTMS, DNPEP, QPCT ELANE 1358/4885CYP3A4 2955/4885CYP2D6 2964/4885

“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.