SCHEMBL22014628

SCHEMBL22014628

CN1CCOCCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.80
KMT2A Q03164 1/20 0.80
NPSR1 Q6W5P4 1/20 0.80
TMEM97 Q5BJF2 6/20 0.56
SIGMAR1 Q99720 6/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD1 P21728 1/20 0.56
HRH2 P25021 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR1E P28566 1/20 0.56
SLC6A4 P31645 1/20 0.56
HRH1 P35367 1/20 0.56
HTR2B P41595 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54

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
SCHEMBL2607031 0.90 MEN1 (0.66) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL24673292 0.90 MEN1 (0.66) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL1337663 0.90 KMT2A (0.97) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14095609 0.90 KMT2A (0.97) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31323430 0.85 KMT2A (0.86) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL24091701 0.85 TMEM97 (0.60) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL5308873 0.84 CYP2C19 (0.57) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL13101519 0.84 MEN1 (0.70) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL27604377 0.83 MEN1 (0.78) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL3970912 0.83 MEN1 (0.76) MEN1KMT2ANPSR1HTR2CSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-05-31 US disclosed
WO-2020102820-A1 COMPOUNDS FOR USE AS IRON (III) MRI CONTRAST AGENTS CONTAINING ANIONIC PENDENTS AND ANCILLARY GROUPS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-05-22 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 (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-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups SLC40A1, TAC3, ABCB7 MEN1 151/4885KMT2A 3561/4885NPSR1 2864/4885

“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.