SCHEMBL86157

SCHEMBL86157

C[C@H](CN)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
CA1 P00915 2/20 0.53
CA7 P43166 2/20 0.53
CYP2D6 P10635 1/20 0.47
CTSK P43235 11/20 0.45
CTSS P25774 5/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL272661 1.00 CA2 (0.53) CA2CA1CA7CYP2D6CTSK
SCHEMBL84553 1.00 CA2 (0.53) CA2CA1CA7CYP2D6CTSK
Hydrochloric Acid SCHEMBL10594711 0.98 CA2 (0.51) CA2CA1CA7CYP2D6CTSK
Hydrochloric Acid SCHEMBL29197256 0.98 CA2 (0.51) CA2CA1CA7CYP2D6CTSK
Hydrochloric Acid SCHEMBL29408471 0.98 CA2 (0.51) CA2CA1CA7CYP2D6CTSK
SCHEMBL12523040 0.85 CA2 (0.47) CA2CA1CA7CYP2D6CTSK
SCHEMBL18196102 0.85 CA2 (0.47) CA2CA1CA7CYP2D6CTSK
SCHEMBL86237 0.85 CA1 (0.50) CA2CA1CA7CYP2D6CTSK
SCHEMBL86310 0.85 CA1 (0.50) CA2CA1CA7CYP2D6CTSK
SCHEMBL1654201 0.85 CA1 (0.50) CA2CA1CA7CYP2D6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US claimed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US claimed
EP-4225762-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2026-05-27 EP disclosed
US-12612416-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-04-28 US disclosed
US-20250361205-A1 ENZYME-CLEAVABLE METHADONE PRODRUGS AND METHODS OF USE THEREOF ENSYSCE BIOSCIENCES INC (US) 2025-11-27 US disclosed
US-12435078-B2 Pyridazinones and methods of use thereof GFB (ABC), LLC (US) 2025-10-07 US disclosed
US-12421240-B2 Hydropyrazino[1,2-d][1,4]diazepine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2025-09-23 US disclosed
US-12384744-B2 Enzyme-cleavable methadone prodrugs and methods of use thereof Ensysce Biosciences Inc. (US) 2025-08-12 US disclosed
US-20250213571-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2025-07-03 US disclosed
US-20250206744-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2025-06-26 US disclosed
EP-4570805-A1 TRICYCLIC COMPOUNDS AND MEDICAL USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2025-06-18 EP disclosed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 WO disclosed
US-5683989-A TREATMENT OF CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1997-11-04 US disclosed
US-5484774-A 2, N6 -disubstituted adenosines, tri-O-ester derivatives and their pharmaceutical compositions to treat ischemias NOVO NORDISK A/S (DK) 1996-01-16 US disclosed
US-5242943-A Administering as beta adrenoceptor blocking agents Louis, William J. (AU) 1993-09-07 US disclosed
US-5051445-A Cardiovascular disorders such as antiarrhythmia or cardiotonic agents, adrenergic blocking agents Louis, William J. (AU) 1991-09-24 US disclosed
EP-0177515-B1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Louis, William John (AU) 1989-05-31 EP disclosed
EP-0177515-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ LTD (CH) 1986-09-23 EP disclosed
EP-0177515-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ LTD (CH) 1986-04-16 EP disclosed
WO-1985004403-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ LTD. (CH) 1985-10-10 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 (8 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-12421240-B2 Hydropyrazino[1,2-d][1,4]diazepine compounds for the treatment of autoimmune disease HRH3, HRH4, HRH2 CA2 385/4885CA1 243/4885CA7 964/4885
US-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L CA2 3287/4885CA1 2495/4885CA7 1623/4885
US-12612416-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, CLCN2, CLIC1 CA2 867/4885CA1 4506/4885CA7 3623/4885
US-20250213571-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 CA2 4725/4885CA1 4610/4885CA7 4686/4885
US-12435078-B2 Pyridazinones and methods of use thereof PDXK, ATP6V1B1, REN CA2 3937/4885CA1 4778/4885CA7 3368/4885
US-20250206744-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS IL17A, IL23R, IL15 CA2 4099/4885CA1 4430/4885CA7 2443/4885
US-12384744-B2 Enzyme-cleavable methadone prodrugs and methods of use thereof CES2, ACHE, COMT CA2 1606/4885CA1 599/4885CA7 974/4885
US-20250361205-A1 ENZYME-CLEAVABLE METHADONE PRODRUGS AND METHODS OF USE THEREOF CES2, ACHE, COMT CA2 1606/4885CA1 599/4885CA7 974/4885

“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.