SCHEMBL8092467

SCHEMBL8092467

NC(CCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 6/20 0.56
GRM4 Q14833 6/20 0.56
GRM6 O15303 2/20 0.56
TSHR P16473 1/20 0.54
ANPEP P15144 1/20 0.54
ERAP2 Q6P179 1/20 0.54
ERAP1 Q9NZ08 1/20 0.54
GRIK1 P39086 2/20 0.49
GRIK2 Q13002 2/20 0.49
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
GRIA4 P48058 1/20 0.48
GRIK3 Q13003 1/20 0.48
KMO O15229 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7358695 1.00 GRM8 (0.56) GRM8GRM4GRM6TSHRANPEP
SCHEMBL3124322 0.91 GRM8 (0.53) GRM8GRM4GRM6TSHRANPEP
SCHEMBL7940937 0.88 GRM8 (0.51) GRM8GRM4GRM6TSHRANPEP
SCHEMBL3097653 0.86 TSHR (0.61) TSHRANPEPERAP2ERAP1KCNJ1
SCHEMBL437181 0.83 SLC7A5 (0.61) GRM8GRM4GRM6GRIK1GRIK2
SCHEMBL503312 0.83 SLC7A5 (0.61) GRM8GRM4GRM6GRIK1GRIK2
SCHEMBL26443 0.83 SLC7A5 (0.61) GRM8GRM4GRM6GRIK1GRIK2
SCHEMBL26444 0.83 SLC7A5 (0.61) GRM8GRM4GRM6GRIK1GRIK2
SCHEMBL11375489 0.83 ANPEP (0.51) GRM8GRM4GRM6TSHRANPEP
SCHEMBL2561037 0.82 TSHR (0.56) GRM8GRM4GRM6TSHRANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976635-A1 METHODS OF TREATING HYPERLIPIDEMIA CONDITIONS WITH NETRIN-1 COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-06 EP 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-6039931-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-21 US disclosed
US-5798092-A METAL COMPLEXES; CONTRAST AGENTS FOR MEDICAL IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-25 US disclosed
US-5695739-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
EP-0236307-B1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS SCHERING CORPORATION (US) 1991-04-17 EP disclosed
US-4840772-A KIT WITH CONTAINERS OF AGENT TO REDUCE INTRAOCULAR PRESSURE AND ANTIINFLAMMATORY STEROID OR BETA-BLOCKER SCHERING CORPORATION (US) 1989-06-20 US disclosed
US-4783444-A SUBSTITUTED DIPEPTIDES SCHERING CORPORATION (US) 1988-11-08 US disclosed
US-4691049-A Process for preparing a specific diastereomer of a monoamino dicarboxylic acid ester SCHERING CORPORATION (US) 1987-09-01 US disclosed
US-4584285-A Antihypertensive agents SCHERING CORPORATION (US) 1986-04-22 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 (1 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-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using UACA, CLTC, PKD1 GRM8 2888/4885GRM4 1807/4885GRM6 2118/4885

“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.