SCHEMBL3775112

SCHEMBL3775112

CC(C)(C)OC(=O)CN(CCBr)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.51
NR1D1 P20393 4/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
NR1H3 Q13133 1/20 0.43
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCN1A P35498 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ABCB1 P08183 1/20 0.39
RIPK1 Q13546 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
SCHEMBL7570965 0.91 AKT1 (0.50) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL30915258 0.91 AKT1 (0.50) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL782348 0.91 AKT1 (0.55) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL7562431 0.90 AKT1 (0.49) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL25539127 0.89 AKT1 (0.48) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL3844227 0.89 MEN1 (0.52) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL23130693 0.88 AKT1 (0.50) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL8018235 0.88 AKT1 (0.50) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL19079041 0.87 AKT1 (0.47) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL782349 0.87 AKT1 (0.51) AKT1NR1D1CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4626489-A1 PCTA DERIVATIVES, CONJUGATES THEREOF AND USES THEREOF Novartis AG (CH) 2025-10-08 EP disclosed
WO-2024116053-A1 PCTA DERIVATIVES, CONJUGATES THEREOF AND USES THEREOF NOVARTIS AG (CH) 2024-06-06 WO disclosed
US-10556873-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2020-02-11 US disclosed
US-20160052894-A1 BIMODAL LIGANDS WITH MACROCYCLIC AND ACYCLIC BINDING MOIETIES, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING CHONG, HYUN-SOON, PHD 2016-02-25 US disclosed
US-9115094-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using THE UNITED STATES OF AMERICA, NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS) (US) 2015-08-25 US disclosed
US-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2010-12-23 US disclosed
US-5885548-A Multiply substituted DTPA derivatives and their metal complexes, and their metal complexes, pharmaceutical agents that contain these complexes, their use in diagnosis and therapy, as well as process for the production of pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
US-5853699-A Use of tetra azacycle complexes as x-ray diagnostic agents for the liver and gallbladder SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed
CN-1167444-A Application of metal complex as hepatobiliary radiation contrast agent in CT scanning SCHERING AG (DE) 1997-12-10 CN disclosed
EP-0794939-A1 NOVEL MULTIPLE-SUBSTITUENT DTPA DERIVATIVES AND METAL COMPLEXES THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPLEXES, THEIR USE IN DIAGNOSIS AND THERAPY, METHODS OF PREPARING THE COMPLEXING AGENTS AND COMPLEXES AND METHODS OF PREPARING THE PHARMACEUTICAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-17 EP disclosed
EP-0794799-A2 USE OF METAL COMPLEXES AS LIVER AND GALL BLADDER RADIODIAGNOSIS AGENTS IN COMPUTER TOMOGRAPHY SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-17 EP disclosed
WO-1996016677-A2 USE OF METAL COMPLEXES AS LIVER AND GALL BLADDER RADIODIAGNOSIS AGENTS IN COMPUTER TOMOGRAPHY SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-06 WO disclosed
WO-1996016929-A1 NOVEL MULTIPLE-SUBSTITUENT DTPA DERIVATIVES AND METAL COMPLEXES THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPLEXES, THEIR USE IN DIAGNOSIS AND THERAPY, METHODS OF PREPARING THE COMPLEXING AGENTS AND COMPLEXES AND METHODS OF PREPARING THE PHARMACEUTICAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-06 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 (3 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-10556873-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using UACA, CLTC, CLTA AKT1 4534/4885NR1D1 1241/4885CTSL 983/4885
US-20160052894-A1 BIMODAL LIGANDS WITH MACROCYCLIC AND ACYCLIC BINDING MOIETIES, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING UACA, CLTC, CLTA AKT1 4534/4885NR1D1 1241/4885CTSL 983/4885
US-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using UACA, CLTC, PKD1 AKT1 4437/4885NR1D1 1424/4885CTSL 1124/4885

“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.