SCHEMBL2183909

SCHEMBL2183909

NCC(=O)N1CCN(CCOc2[c]cccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
KCNA5 P22460 8/20 0.45
LTA4H P09960 1/20 0.44
DRD3 P35462 4/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
DRD2 P14416 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL2182155 0.78 LTA4H (0.51) LTA4HDRD3MEN1KMT2AALDH1A1
SCHEMBL2182636 0.78 DRD3 (0.55) SIGMAR1KCNA5LTA4HDRD3MEN1
SCHEMBL956747 0.78 LTA4H (0.51) LTA4HTDP1
SCHEMBL2180083 0.77 TSHR (0.53) LTA4HDRD3DRD2TDP1
SCHEMBL826085 0.74 NPC1 (0.54) LTA4HMEN1KMT2AALDH1A1
SCHEMBL3119026 0.72 GAA (0.55) ALDH1A1
SCHEMBL2182739 0.72 HRH2 (0.54) SIGMAR1DRD3ALDH1A1DRD2
SCHEMBL6292255 0.72 HRH3 (0.54) SIGMAR1LTA4HDRD3MEN1KMT2A
SCHEMBL2180630 0.71 LTA4H (0.55) SIGMAR1LTA4HALDH1A1DRD2
SCHEMBL8623642 0.71 ALDH1A1 (0.55) DRD3ALDH1A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 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 (2 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 SIGMAR1 1702/4885KCNA5 4256/4885LTA4H 3758/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR SIGMAR1 4519/4885KCNA5 3243/4885LTA4H 2556/4885

“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.