SCHEMBL401659

SCHEMBL401659

N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 10/20 1.00
GRIA2 P42262 9/20 1.00
GRIA4 P48058 9/20 1.00
GRIK5 Q16478 9/20 1.00
CYP1A2 P05177 3/20 1.00
BLM P54132 1/20 1.00
KMT2A Q03164 1/20 1.00
HSD17B10 Q99714 1/20 1.00
KDM4E B2RXH2 1/20 0.69
GRIA3 P42263 1/20 0.69
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRIK1 P39086 1/20 0.45

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
SCHEMBL13957600 0.82 GRIA1 (0.69) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL12648446 0.82 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL8631021 0.82 GRIA1 (0.69) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL8296644 0.82 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL5000789 0.82 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL4311549 0.82 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL770144 0.76 KMT2A (0.60) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL20088133 0.73 CYP1A2 (0.57) GRIA1GRIA2GRIA4GRIK5CYP1A2
(S)-Willardiine SCHEMBL438494 0.72 GRIA1 (0.56) GRIA1GRIA2GRIA4GRIK5CYP1A2
(S)-Willardiine SCHEMBL401191 0.72 GRIA1 (0.56) GRIA1GRIA2GRIA4GRIK5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232025-A1 SAFENER DRUG COMBINATIONS FOR USE WITH NMDA ANTAGONIST DRUGS OLNEY JOHN W (US) 2012-09-13 US claimed
US-20050101597-A1 Compositions of a cyclooxygenase-2 selective inhibitior and a non-NMDA glutamate modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-05-12 US claimed
WO-2005007106-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A NON-NMDA GLUTAMATE MODULATOR FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-01-27 WO claimed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-11274158-B2 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using calcitonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-03-15 US disclosed
US-20220033490-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING CHRNA6 INHIBITORS FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2022-02-03 US disclosed
US-11208475-B1 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using serotonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-12-28 US disclosed
US-20210283217-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-16 US disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
WO-2008097546-A2 COMPOUNDS THAT INHIBIT CHOLINESTERASE COLUCID PHARMACEUTICALS, INC. (US) 2008-08-14 WO disclosed
WO-2008088820-A2 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2008-07-24 WO disclosed
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents SENTION, INC. 2007-11-29 US disclosed
EP-1689704-A2 CARBAMOYL ESTERS THAT INHIBIT CHOLINESTERASE AND RELEASE PHARMACOLOGICALLY ACTIVE AGENTS CoLucid Pharmaceuticals, Inc. (US) 2006-08-16 EP disclosed
WO-2005042475-A2 CARBAMOYL ESTERS THAT INHIBIT CHOLINESTERASE AND RELEASE PHARMACOLOGICALLY ACTIVE AGENTS SENTION, INC. (US) 2005-05-12 WO disclosed
US-20050101597-A1 Compositions of a cyclooxygenase-2 selective inhibitior and a non-NMDA glutamate modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-05-12 US disclosed
US-20050096387-A1 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents SENTION, INC. (US) 2005-05-05 US disclosed
WO-2005007106-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A NON-NMDA GLUTAMATE MODULATOR FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-01-27 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 (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-20220033490-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING CHRNA6 INHIBITORS CHRNA6, CHRNA1, CHRNB1 GRIA1 407/4885GRIA2 648/4885GRIA4 325/4885
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents ACHE, BCHE, CHAT GRIA1 1432/4885GRIA2 1522/4885GRIA4 1222/4885
US-20050101597-A1 Compositions of a cyclooxygenase-2 selective inhibitior and a non-NMDA glutamate modulator for the treatment of central nervous system damage GRIN1, GRIN2A, GRIN2B GRIA1 21/4885GRIA2 11/4885GRIA4 23/4885
US-20050096387-A1 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents ACHE, BCHE, CHAT GRIA1 1565/4885GRIA2 1427/4885GRIA4 1051/4885

“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.