SCHEMBL8126531

SCHEMBL8126531

CCc1ccc2c(c1)[C@H](C(C)C)[C@H](O)CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.42
PARP1 P09874 1/20 0.35
MAOA P21397 1/20 0.34
DRD3 P35462 4/20 0.34
LTB4R Q15722 4/20 0.34
LTB4R2 Q9NPC1 4/20 0.34
DRD2 P14416 3/20 0.34
DRD4 P21917 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
OPRM1 P35372 2/20 0.33
TP53 P04637 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL5713612 0.79 HCRTR2 (0.44) HCRTR2PARP1MAOADRD3LTB4R
SCHEMBL8278342 0.79 HCRTR2 (0.44) HCRTR2PARP1MAOADRD3LTB4R
SCHEMBL14395510 0.75 LTB4R (0.43) HCRTR2MAOADRD3LTB4RLTB4R2
SCHEMBL21536753 0.75 LTB4R (0.43) HCRTR2MAOADRD3LTB4RLTB4R2
SCHEMBL8278101 0.74 HCRTR2 (0.44) HCRTR2PARP1DRD3LTB4RLTB4R2
SCHEMBL13038051 0.73 HCRTR2 (0.48) HCRTR2PARP1DRD3DRD2DRD4
SCHEMBL22923302 0.73 HCRTR2 (0.48) HCRTR2PARP1DRD3DRD2DRD4
SCHEMBL9581223 0.73 HCRTR2 (0.43) HCRTR2PARP1DRD3DRD2DRD4
SCHEMBL7752945 0.68 HTR1A (0.58) HCRTR2PARP1CYP3A4TP53MEN1
SCHEMBL7518917 0.67 PARP1 (0.41) HCRTR2PARP1

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-20080306136-A1 Substituted Ureas and Carbamates ELAN PHARMACEUTICALS, INC. 2008-12-11 US disclosed
US-7351738-B2 Substituted ureas and carbamates ELAN PHARMACEUTICALS, INC. (US) 2008-04-01 US disclosed
US-20040209925-A1 Substituted ureas and carbamates ELAN PHARMACEUTICALS, INC. 2004-10-21 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-20040209925-A1 Substituted ureas and carbamates BACE1, BACE2, PSEN1 HCRTR2 2052/4885PARP1 1904/4885MAOA 1195/4885
US-20080306136-A1 Substituted Ureas and Carbamates BACE1, BACE2, APP HCRTR2 1814/4885PARP1 2533/4885MAOA 1020/4885

“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.