SCHEMBL16631744

SCHEMBL16631744

O=C(O)CN1CCN(CCN(CC(=O)O)CC(=O)O)CCN(CC(CCCc2ccc([N+](=O)[O-])cc2)N(CC(=O)O)CC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 11/20 0.45
SIGMAR1 Q99720 4/20 0.44
KCNH2 Q12809 11/20 0.43
CCR2 P41597 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
CCR5 P51681 1/20 0.38

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
SCHEMBL17986129 1.00 KCNJ1 (0.45) KCNJ1SIGMAR1KCNH2CCR2HRH3
SCHEMBL17985855 0.96 KCNJ1 (0.48) KCNJ1SIGMAR1KCNH2CCR2HRH3
SCHEMBL3249763 0.93 KCNJ1 (0.46) KCNJ1SIGMAR1KCNH2CCR2HRH3
SCHEMBL3769255 0.93 KCNJ1 (0.46) KCNJ1SIGMAR1KCNH2CCR2HRH3
SCHEMBL18021193 0.92 SIGMAR1 (0.45) KCNJ1SIGMAR1KCNH2CCR2HRH3
SCHEMBL18021203 0.92 SIGMAR1 (0.45) KCNJ1SIGMAR1KCNH2CCR2HRH3
SCHEMBL13014130 0.90 KCNJ1 (0.45) KCNJ1SIGMAR1KCNH2HRH3
SCHEMBL13014054 0.90 KCNJ1 (0.45) KCNJ1SIGMAR1KCNH2HRH3
SCHEMBL18021195 0.90 SIGMAR1 (0.45) KCNJ1SIGMAR1KCNH2CCR5
SCHEMBL18021169 0.89 SIGMAR1 (0.41) KCNJ1SIGMAR1KCNH2CCR2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250339566-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN UNIV ANTWERPEN (BE) 2025-11-06 US disclosed
EP-4531932-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Universiteit Antwerpen (BE) 2025-04-09 EP disclosed
WO-2025037000-A1 NOVEL FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND MEDICAL USES THEREOF UNIVERSITEIT ANTWERPEN (BE) 2025-02-20 WO disclosed
WO-2023233023-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN UNIVERSITEIT ANTWERPEN (BE) 2023-12-07 WO disclosed
US-10842893-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2020-11-24 US disclosed
US-10842893-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2020-11-24 US disclosed
US-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-10-15 US disclosed
US-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-10-15 US disclosed
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2016-08-18 US disclosed
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2016-08-18 US disclosed
WO-2015051362-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2015-04-09 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-20250339566-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN FIBP, FGF1, FGFR1 KCNJ1 4440/4885SIGMAR1 4860/4885KCNH2 4619/4885
US-10842893-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same FECH, SLC40A1, TFRC KCNJ1 3900/4885SIGMAR1 1930/4885KCNH2 4384/4885
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME FECH, SLC40A1, TFRC KCNJ1 3900/4885SIGMAR1 1930/4885KCNH2 4384/4885
US-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same FECH, SLC40A1, TFRC KCNJ1 3900/4885SIGMAR1 1930/4885KCNH2 4384/4885

“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.