SCHEMBL2181192

SCHEMBL2181192

CN(C)CCNCCCOc1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.49
DRD4 P21917 11/20 0.49
DRD3 P35462 9/20 0.49
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RYR2 Q92736 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
LSS P48449 1/20 0.41

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
SCHEMBL2184548 0.95 DRD2 (0.46) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL2181780 0.84 DRD2 (0.46) DRD2DRD4DRD3KDM4E
SCHEMBL188273 0.83 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL5541887 0.81 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL158044 0.81 HRH3 (0.58) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL5543666 0.80 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL5543645 0.80 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL2181408 0.79 DRD2 (0.44) DRD2DRD4DRD3
SCHEMBL2181369 0.78 DRD2 (0.52) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL25274083 0.77 DRD4 (0.44) DRD2DRD4DRD3KDM4EALDH1A1

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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO 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 DRD2 3745/4885DRD4 2736/4885DRD3 4409/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR DRD2 2588/4885DRD4 1939/4885DRD3 3095/4885

“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.