SCHEMBL22014095

SCHEMBL22014095

O=P(O)(O)CN1CCN(Cc2ccc(-c3ccccc3)cc2)CCN(CP(=O)(O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.55
CHKA P35790 1/20 0.54
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
SIGMAR1 Q99720 2/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KCNH2 Q12809 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
MGLL Q99685 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 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
SCHEMBL22014104 0.94 HRH3 (0.56) FAAHCHKASIGMAR1CYP2D6CYP2C19
SCHEMBL22014091 0.90 SIGMAR1 (0.64) FAAHALDH1A1SIGMAR1KCNH2HDAC4
SCHEMBL22014097 0.88 HRH3 (0.48) ALDH1A1SIGMAR1KCNH2HRH3HDAC4
SCHEMBL22014485 0.84 HRH3 (0.47) FAAHCHKACYP2D6CYP2C19HRH3
SCHEMBL16226080 0.81 SIGMAR1 (0.78) FAAHCHKAALDH1A1TSHRSIGMAR1
SCHEMBL22014096 0.79 SIGMAR1 (0.49) ALDH1A1TSHRSIGMAR1CYP2D6SMN1; SMN2
SCHEMBL22355488 0.79 SIGMAR1 (0.49) ALDH1A1SIGMAR1KCNH2HDAC4HDAC1
SCHEMBL22014099 0.78 MPO (0.53) FAAHALDH1A1SIGMAR1LMNAPOLB
SCHEMBL2235689 0.78 FAAH (0.69) FAAHCHKAALDH1A1TSHRSIGMAR1
SCHEMBL26623128 0.78 FAAH (0.61) FAAHCHKAALDH1A1TSHRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022204065-A1 IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-09-29 WO disclosed
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 FAAH 2945/4885CHKA 1212/4885ALDH1A1 4407/4885

“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.