SCHEMBL3798217

SCHEMBL3798217

CCCN1CCN(CCC)P1(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FABP4 P15090 1/20 0.32

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
SCHEMBL3797300 0.74 HPGD (0.38) DRD1DRD4DRD3HPGDMEN1
SCHEMBL5653503 0.71 HPGD (0.36) DRD4HTTHPGDMEN1KMT2A
SCHEMBL10530927 0.69 KMT2A (0.38) DRD3MAPTHTTHPGDALDH1A1
SCHEMBL12353478 0.66 ALDH1A1 (0.34) HPGDALDH1A1MEN1KMT2A
SCHEMBL10534696 0.66 SHMT2 (0.36) DRD3MAPTATMHTTHPGD
SCHEMBL3801753 0.64 MEN1 (0.40) SIGMAR1HPGDALDH1A1MEN1KMT2A
SCHEMBL29221145 0.64 HPGD (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL11798652 0.63 HPGD (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3867146 0.59 OPRM1 (0.55) DRD2SIGMAR1DRD4HRH3
SCHEMBL17966099 0.59 RECQL (0.38) DRD2DRD1DRD4DRD5DRD3

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-7829044-B2 Phosphonamides, process for producing the same, and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-11-09 US disclosed
US-7829044-B2 Phosphonamides, process for producing the same, and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-11-09 US disclosed
EP-1496063-B1 EXTRACTION PROCESS FOR RARE EARTH METAL IONS USING A PHOSPHONAMIDE COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2009-08-19 EP disclosed
US-20050107599-A1 Novel phosphonamides, process for producing the same, and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-05-19 US disclosed
EP-1496063-A1 NOVEL PHOSPHONAMIDES, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Japan Science and Technology Agency (JP) 2005-01-12 EP 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-20050107599-A1 Novel phosphonamides, process for producing the same, and use thereof PHYKPL, CDKL1, MASTL DRD2 4047/4885SIGMAR1 4079/4885DRD1 2919/4885

“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.