SCHEMBL2207076

SCHEMBL2207076

CN1CCP(=O)(c2ccc(O)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.38
DRD2 P14416 8/20 0.38
DRD5 P21918 8/20 0.38
DRD3 P35462 8/20 0.38
QDPR P09417 1/20 0.37
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
DRD4 P21917 6/20 0.34
FYN P06241 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
USP7 Q93009 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
OPRD1 P41143 1/20 0.31
HTR2A P28223 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16908176 0.81 MAPT (0.46) KDM4EALDH1A1MAPTHRH4MEN1
SCHEMBL10272984 0.81 SMN1; SMN2 (0.40) DRD2ALDH1A1MAPTHTR2A
SCHEMBL2209593 0.80 TSHR (0.41) DRD1KDM4EALDH1A1MAPTMEN1
SCHEMBL11798652 0.80 HPGD (0.44) DRD1DRD2DRD5DRD3DRD4
SCHEMBL2212046 0.79 NPSR1 (0.45) DRD1DRD2DRD5DRD3ALDH1A1
SCHEMBL2207083 0.78 DRD1 (0.39) DRD1DRD2DRD5DRD3QDPR
SCHEMBL2207785 0.71 DRD2 (0.43) DRD1DRD2DRD5DRD3ALDH1A1
SCHEMBL2611683 0.66 HRH3 (0.40) KDM4EALDH1A1MAPTPKMHRH4
SCHEMBL2611681 0.64 CYP2D6 (0.49) ALDH1A1KMT2A
SCHEMBL526167 0.63 ALDH1A1 (0.63) KDM4EALDH1A1MAPTPKMDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 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 (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-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN DRD1 4567/4885DRD2 4699/4885DRD5 4436/4885

“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.