SCHEMBL813131

SCHEMBL813131

CN1CCC(=O)C([Se]c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.35
DRD5 P21918 2/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MTOR P42345 1/20 0.35
DRD2 P14416 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
SETD7 Q8WTS6 1/20 0.34
SRD5A1 P18405 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL10814246 0.71 DRD1 (0.54) DRD1DRD5MAPK1THPOHIF1A
SCHEMBL813145 0.70 MCL1 (0.40) KDM4EMAPTSMN1; SMN2
SCHEMBL813136 0.69 MCL1 (0.46) KDM4EMAPTSMN1; SMN2
SCHEMBL6407083 0.69 TACR1 (0.60)
SCHEMBL811778 0.68 MCL1 (0.45) KDM4EMAPTSMN1; SMN2
SCHEMBL2455033 0.68 GRM5 (0.39) DRD1DRD5DRD2DRD4DRD3
SCHEMBL809512 0.68 DDB1 (0.43) DRD1DRD5MAPK1THPOHIF1A
SCHEMBL5347253 0.65 CHRM4 (0.36) DRD1MAPK1THPOHIF1AHSD17B10
SCHEMBL6408949 0.64 CHRM2 (0.47) DRD1DRD2MAOAMAOBDRD4
SCHEMBL10651782 0.64 MEN1 (0.41) DRD1DRD5MAPK1THPOHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
WO-2006007586-A1 ORGANOCATALYSTS AND METHODS OF USE IN CHEMICAL SYNTHESIS SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2006-01-19 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 (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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 DRD1 1177/4885DRD5 3247/4885MAPK1 4200/4885

“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.