SCHEMBL463468

SCHEMBL463468

CNC(=O)C(N)CCCCN

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.57
GNAI3 P08754 1/20 0.57
GNAO1 P09471 1/20 0.57
GNAI1 P63096 1/20 0.57
DPP7 Q9UHL4 4/20 0.53
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 2/20 0.53
DPP4 P27487 1/20 0.46
MMP2 P08253 1/20 0.45
TERT O14746 5/20 0.43
TLR2 O60603 2/20 0.43
LTA4H P09960 1/20 0.43
RRM1 P23921 1/20 0.43
SLC15A1 P46059 1/20 0.43
RNPEP Q9H4A4 1/20 0.41

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
SCHEMBL19080648 1.00 GSR (0.57) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL6014706 1.00 GSR (0.57) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL8528049 0.94 DPP7 (0.51) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL4773570 0.94 DPP7 (0.51) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL14456838 0.94 DPP7 (0.51) GSRGNAI3GNAO1GNAI1DPP7
Hydrochloric Acid SCHEMBL8015394 0.92 DPP7 (0.50) GSRGNAI3GNAO1GNAI1DPP7
Hydrochloric Acid SCHEMBL8526234 0.92 DPP7 (0.50) GSRGNAI3GNAO1GNAI1DPP7
Hydrochloric Acid SCHEMBL8015391 0.92 DPP7 (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL8403553 0.87 DPP7 (0.48) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL20366099 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998946-A1 Non-porphyrin compound for use as a diagnosticum and/or pharmaceutical K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-05-10 EP claimed
US-6039931-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-21 US claimed
WO-2000009169-A1 NON-PORPHYRIN COMPOUND FOR USE AS A DIAGNOSTICUM AND/OR PHARMACEUTICAL K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-02-24 WO claimed
US-5798092-A METAL COMPLEXES; CONTRAST AGENTS FOR MEDICAL IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-25 US claimed
US-5290794-A Storage stable compositions WARNER LAMBERT CO. (US) 1994-03-01 US claimed
US-20240016946-A1 DRUG-LOADED MACROMOLECULE AND PREPARATION METHOD THEREFOR SHANGHAI SHENGDI PHARMACEUTICAL CO., LTD. (CN) 2024-01-18 US disclosed
WO-2023097038-A1 CLEAVABLE RADIOLIGANDS FOR TARGETING CELL SURFACE RECEPTORS AND USES THEREOF FULL-LIFE TECHNOLOGIES U.S. INC. (US) 2023-06-01 WO disclosed
WO-2022022360-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, AND PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2022-02-03 WO disclosed
WO-2022022354-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG SYNERGIST, PREPARATION METHOD THEREFOR, AND USE THEREOF 重庆阿普格雷生物科技有限公司 2022-02-03 WO disclosed
US-11046716-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2021-06-29 US disclosed
EP-3010547-B1 ENZYMATIC CONJUGATION OF POLYPEPTIDES INNATE PHARMA (FR) 2021-04-21 EP disclosed
US-10980860-B2 Diagnosis, prevention and treatment of diseases of the joint ASCENDIS PHARMA A/S (DK) 2021-04-20 US disclosed
EP-1944300-A2 Prodrugs of aspartyl protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-07-16 EP disclosed
US-7081472-B2 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them K. U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2006-07-25 US disclosed
US-20040053911-A1 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-03-18 US disclosed
EP-1343758-A1 SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2003-09-17 EP disclosed
WO-2002038546-A1 SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2002-05-16 WO disclosed
US-5876698-A Macrocyclic polymer complexing agents, their complexes, process for their production and pharmaceutical agents containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-02 US disclosed
US-5733522-A USEFUL FOR NMR DIAGNOSIS AND DIAGNOSTIC RADIOLOGY; FOR CONTRASTING THE HEPATOBILIARY SYSTEM SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-31 US disclosed
US-5290794-A Storage stable compositions WARNER LAMBERT CO. (US) 1994-03-01 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 (4 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-20040053911-A1 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them IDO1, IDO2, CNR1 GSR 2129/4885GNAI3 392/4885GNAO1 1639/4885
US-10980860-B2 Diagnosis, prevention and treatment of diseases of the joint TNF, ADAMTS5, ADAMTS1 GSR 1821/4885GNAI3 2650/4885GNAO1 1564/4885
US-11046716-B2 Beta-lactamase inhibitors MGAM, GAA, LCT GSR 2887/4885GNAI3 1261/4885GNAO1 1352/4885
US-20240016946-A1 DRUG-LOADED MACROMOLECULE AND PREPARATION METHOD THEREFOR MRPL38, MRPS27, MRPS18A GSR 2969/4885GNAI3 4808/4885GNAO1 4378/4885

“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.