SCHEMBL21797152

SCHEMBL21797152

CC(O)CN1CCN(Cc2ccccc2)CCN(CC(C)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
SIGMAR1 Q99720 3/20 0.64
MC4R P32245 1/20 0.59
IGF1R P08069 1/20 0.59
LMNA P02545 2/20 0.58
POLB P06746 1/20 0.58
HTT P42858 1/20 0.57
GAA P10253 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
DRD4 P21917 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ATM Q13315 1/20 0.52
ACHE P22303 1/20 0.51
PHGDH O43175 1/20 0.51
MGLL Q99685 1/20 0.51

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
SCHEMBL24672242 1.00 KDM4E (0.68) KDM4ESIGMAR1MC4RIGF1RLMNA
SCHEMBL1394677 1.00 KDM4E (0.68) KDM4ESIGMAR1MC4RIGF1RLMNA
SCHEMBL1394535 1.00 KDM4E (0.68) KDM4ESIGMAR1MC4RIGF1RLMNA
SCHEMBL1394539 1.00 KDM4E (0.68) KDM4ESIGMAR1MC4RIGF1RLMNA
SCHEMBL24672260 0.91 SIGMAR1 (0.68) KDM4ESIGMAR1MC4RIGF1RLMNA
SCHEMBL24672246 0.90 CHKA (0.57) KDM4ESIGMAR1MC4RIGF1RLMNA
SCHEMBL24672257 0.89 KDM4E (0.56) KDM4ESIGMAR1MC4RIGF1RLMNA
SCHEMBL21164624 0.86 KDM4E (0.64) KDM4ESIGMAR1MC4RIGF1RLMNA
SCHEMBL1126489 0.85 SIGMAR1 (0.69) KDM4ESIGMAR1MC4RIGF1RLMNA
SCHEMBL24672258 0.85 KDM4E (0.51) KDM4ESIGMAR1MC4RIGF1RLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534487-B2 Compounds for use as iron(III) MRI contrast agents THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2026-01-27 US disclosed
US-20220259244-A1 COMPOUNDS FOR USE AS IRON(III) MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2022-08-18 US disclosed
US-11261208-B2 Compounds for use as iron(III) MRI contrast agents THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-03-01 US disclosed
CN-110944676-A Compounds useful as iron (III) MRI contrast agents 纽约州立大学研究基金会 2020-03-31 CN disclosed
US-20200079806-A1 COMPOUNDS FOR USE AS IRON(III) MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2020-03-12 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-20200079806-A1 COMPOUNDS FOR USE AS IRON(III) MRI CONTRAST AGENTS FECH, HAMP, TFRC KDM4E 3139/4885SIGMAR1 1933/4885MC4R 1534/4885
US-12534487-B2 Compounds for use as iron(III) MRI contrast agents SLC9A3, SLC9A2, SLC9A1 KDM4E 2131/4885SIGMAR1 622/4885MC4R 501/4885
US-11261208-B2 Compounds for use as iron(III) MRI contrast agents FECH, HAMP, SLC40A1 KDM4E 3048/4885SIGMAR1 1700/4885MC4R 1546/4885
US-20220259244-A1 COMPOUNDS FOR USE AS IRON(III) MRI CONTRAST AGENTS FECH, HAMP, SLC40A1 KDM4E 3048/4885SIGMAR1 1700/4885MC4R 1546/4885

“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.