SCHEMBL2817339

SCHEMBL2817339

COC(=O)c1cccc2c1CCC2N1Cc2cccc(Cl)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
MAPT P10636 2/20 0.45
DRD3 P35462 1/20 0.43
HTR5A P47898 1/20 0.43
PARP1 P09874 3/20 0.41
PARP2 Q9UGN5 1/20 0.40
CRBN Q96SW2 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CMA1 P23946 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2817755 1.00 DRD2 (0.46) DRD2DRD4DRD1DRD5MAPT
SCHEMBL2817341 1.00 DRD2 (0.46) DRD2DRD4DRD1DRD5MAPT
SCHEMBL2816182 0.87 MAPT (0.46) DRD2DRD1MAPTPARP1PARP2
SCHEMBL2821894 0.87 MAPT (0.46) DRD2DRD1MAPTPARP1PARP2
SCHEMBL803567 0.84 MAPT (0.41) DRD2DRD4DRD1DRD5MAPT
SCHEMBL2820739 0.82 MAPT (0.40) MAPTCRBNHSP90AA1HSP90AB1POLB
SCHEMBL2816793 0.82 MAPT (0.40) MAPTCRBNHSP90AA1HSP90AB1POLB
SCHEMBL803744 0.82 MAPT (0.40) MAPTCRBNHSP90AA1HSP90AB1POLB
SCHEMBL785796 0.82 MAPT (0.40) MAPTCRBNHSP90AA1HSP90AB1MEN1
SCHEMBL484526 0.82 MAPT (0.40) MAPTCRBNHSP90AA1HSP90AB1MEN1

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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN DRD2 520/4885DRD4 1203/4885DRD1 421/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN DRD2 520/4885DRD4 1203/4885DRD1 421/4885

“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.