SCHEMBL13833151

SCHEMBL13833151

C[C@@H](O)CN1CCN(C[C@@H](C)O)CCN(C[C@@H](C)O)CCN(C[C@@H](C)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
DRD3 P35462 4/20 0.47
PIK3CD O00329 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A3 Q01959 3/20 0.43
DRD4 P21917 2/20 0.43
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
BRD4 O60885 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL5860445 1.00
SCHEMBL8860654 1.00 DRD2 (0.47) DRD2DRD3PIK3CDMEN1KMT2A
SCHEMBL17996818 1.00 DRD2 (0.47) DRD2DRD3PIK3CDMEN1KMT2A
SCHEMBL3970694 1.00 DRD2 (0.47) DRD2DRD3PIK3CDMEN1KMT2A
SCHEMBL636364 1.00 DRD2 (0.47) DRD2DRD3PIK3CDMEN1KMT2A
SCHEMBL24688086 0.92 MEN1 (0.50) DRD2DRD3PIK3CDMEN1KMT2A
SCHEMBL17996819 0.92 MEN1 (0.50) DRD2DRD3PIK3CDMEN1KMT2A
SCHEMBL4650626 0.92 DRD2 (0.44) DRD2DRD3PIK3CDMEN1KMT2A
SCHEMBL14906559 0.92 PIK3CD (0.56) DRD2DRD3PIK3CDMEN1KMT2A
SCHEMBL17968369 0.92 MEN1 (0.50) DRD2DRD3PIK3CDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11246949-B2 Imaging contrast agents and uses thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-02-15 US disclosed
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-03-30 US disclosed
US-20160228581-A1 MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2016-08-11 US disclosed
US-20160228581-A1 MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2016-08-11 US disclosed
WO-2015038943-A1 MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK UNIVERSITY AT BUFFALO (US) 2015-03-19 WO disclosed
US-20140193344-A1 IMAGING CONTRAST AGENTS AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2014-07-10 US disclosed
US-20140193344-A1 IMAGING CONTRAST AGENTS AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2014-07-10 US disclosed
WO-2012155076-A2 IMAGING CONTRAST AGENTS AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-11-15 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-20140193344-A1 IMAGING CONTRAST AGENTS AND USES THEREOF SLC40A1, SLC39A14, SLC39A3 DRD2 2287/4885DRD3 2637/4885PIK3CD 4319/4885
US-20160228581-A1 MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME ABCB7, FECH, CYC1 DRD2 4039/4885DRD3 3343/4885PIK3CD 4454/4885
US-11246949-B2 Imaging contrast agents and uses thereof SLC40A1, SLC39A14, SLC39A3 DRD2 2287/4885DRD3 2637/4885PIK3CD 4319/4885
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same ABCB7, FECH, CYC1 DRD2 4039/4885DRD3 3343/4885PIK3CD 4454/4885

“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.