SCHEMBL12355154

SCHEMBL12355154

O=C[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HCRTR2 O43614 1/20 0.38
CYP19A1 P11511 1/20 0.37
CA2 P00918 1/20 0.34
ADRA2A P08913 1/20 0.34
PYGL P06737 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
FFAR1 O14842 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 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
SCHEMBL13895525 0.82 DRD2 (0.38) DRD2DRD3HCRTR2CYP19A1CA2
SCHEMBL12355153 0.76 DRD2 (0.40) DRD2DRD3HCRTR2CYP19A1CA2
SCHEMBL16693108 0.71 DRD2 (0.41) DRD2DRD3HCRTR2CYP19A1CA2
SCHEMBL29222597 0.69 ADRA2A (0.47) DRD2DRD3HCRTR2CYP19A1ADRA2A
SCHEMBL29340304 0.68 DRD2 (0.43) DRD2DRD3HCRTR2CYP19A1CA2
SCHEMBL22439161 0.68 DRD2 (0.43) DRD2DRD3HCRTR2CYP19A1CA2
SCHEMBL31603066 0.68 DRD2 (0.43) DRD2DRD3HCRTR2CYP19A1CA2
SCHEMBL30015979 0.68 DRD2 (0.43) DRD2DRD3HCRTR2CYP19A1CA2
SCHEMBL31603070 0.68 DRD2 (0.43) DRD2DRD3HCRTR2CYP19A1CA2
SCHEMBL31136565 0.68 DRD2 (0.43) DRD2DRD3HCRTR2CYP19A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2011-08-04 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-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR ADRA2C, ADRB2, ADRA2A DRD2 211/4885DRD3 307/4885HCRTR2 68/4885

“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.