SCHEMBL8928315

SCHEMBL8928315

CCOP(=O)(OCC)N1CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 2/20 0.46
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
PPARD Q03181 2/20 0.36
ACHE P22303 1/20 0.32

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
SCHEMBL13575585 1.00 TP53 (0.48) TP53TDP1TSHRMEN1KMT2A
SCHEMBL5623197 0.88 TP53 (0.42) TP53TDP1TSHRMEN1KMT2A
SCHEMBL7452828 0.84 TP53 (0.39) TP53TDP1TSHRMEN1KMT2A
SCHEMBL29677328 0.84 TP53 (0.39) TP53TDP1TSHRMEN1KMT2A
SCHEMBL29389309 0.84 KMT2A (0.58) TP53TDP1TSHRMEN1KMT2A
SCHEMBL28498569 0.83 TP53 (0.38) TP53TDP1TSHRMEN1KMT2A
SCHEMBL28499171 0.83 TP53 (0.38) TP53TDP1TSHRMEN1KMT2A
SCHEMBL6988942 0.81 TP53 (0.37) TP53TDP1TSHRMEN1KMT2A
SCHEMBL3539649 0.80 TP53 (0.32) TP53TDP1TSHR
SCHEMBL21906271 0.79 TSHR (0.46) TP53TDP1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321010-A1 Amphetamine Controlled Release, Prodrug, and Abuse-deterrent Dosage Forms CHEMAPOTHECA, LLC (US) 2023-10-12 US disclosed
US-20170210768-A1 Novel Chiral Aziridine Phosphoramidate Compounds CHEMAPOTHECA, LLC 2017-07-27 US disclosed
US-9657041-B2 Chiral aryl or aryl-alkyl phosphoramidate dexamphetamine precursors having a regioisomeric purity >99% CHEMAPOTHECA, LLC (US) 2017-05-23 US disclosed
US-20160207945-A1 Novel chiral aryl or aryl-alkyl phosphoramidate dexamphetamine precursors having a regioisomeric purity >99% CHEMAPOTHECA, LLC 2016-07-21 US disclosed
US-9278904-B2 Synthesis of chiral amphetamine derivatives by stereospecific, regioselective cuprate addition reaction with aziridine phosphoramidate compounds CHEMAPOTHECA, LLC (US) 2016-03-08 US disclosed
US-20150183716-A1 Synthesis of Chiral Amphetamine Derivatives by Stereospecific, Regioselective Cuprate Addition Reaction with Aziridine Phosphoramidate Compounds CHEMAPOTHECA, LLC (US) 2015-07-02 US disclosed
CN-102336738-B Synthesis method of 2-thiopheneethamine QIU YIBIN 2014-04-16 CN disclosed
US-5593659-A IN THE FORM OF PHYSIOLOGICALLY ACCEPTABLE SALTS; MEDICAL DIAGNOSIS; WATER SOLUBLE, NONTOXIC CONCAT, LTD. (US) 1997-01-14 US disclosed
EP-0513000-B1 MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS CONCAT LTD (US) 1996-07-31 EP disclosed
US-5380515-A CONTRAST CONCAT, LTD. (US) 1995-01-10 US disclosed
US-5236695-A Medical diagnosis CONCAT, LTD. (US) 1993-08-17 US disclosed
EP-0513000-A1 MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS. CONCAT LTD (US) 1992-11-19 EP disclosed
EP-0513000-A4 MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS. CONCAT LTD (US) 1992-09-01 EP disclosed
WO-1991007911-A1 MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS CONCAT LTD. (US) 1991-06-13 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-20230321010-A1 Amphetamine Controlled Release, Prodrug, and Abuse-deterrent Dosage Forms SLC6A3, CES2, SLC6A2 TP53 4534/4885TDP1 1222/4885TSHR 1602/4885
US-20160207945-A1 Novel chiral aryl or aryl-alkyl phosphoramidate dexamphetamine precursors having a regioisomeric purity >99% DDT, ABL1, SLC6A3 TP53 4666/4885TDP1 1155/4885TSHR 1331/4885
US-20170210768-A1 Novel Chiral Aziridine Phosphoramidate Compounds DDT, SLC6A3, PNMT TP53 4607/4885TDP1 1286/4885TSHR 2009/4885
US-20150183716-A1 Synthesis of Chiral Amphetamine Derivatives by Stereospecific, Regioselective Cuprate Addition Reaction with Aziridine Phosphoramidate Compounds DDT, SLC6A3, TYR TP53 4753/4885TDP1 1471/4885TSHR 1825/4885

“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.