SCHEMBL12355153

SCHEMBL12355153

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HCRTR2 O43614 1/20 0.38
CYP19A1 P11511 1/20 0.34
CA2 P00918 1/20 0.34
ADRA2A P08913 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
PABPC1 P11940 1/20 0.32
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
SCHEMBL17123768 0.78 HCRTR2 (0.41) HCRTR2CA2FFAR1
SCHEMBL18963298 0.78 HCRTR2 (0.41) HCRTR2CA2FFAR1
SCHEMBL12355154 0.76 DRD2 (0.38) DRD2DRD3MAPTHTTHCRTR2
SCHEMBL6214340 0.72 HTR1A (0.47) DRD2DRD3MAPTHTTALDH1A1
SCHEMBL31136565 0.72 DRD2 (0.43) DRD2DRD3MAPTHTTALDH1A1
SCHEMBL31603066 0.72 DRD2 (0.43) DRD2DRD3MAPTHTTALDH1A1
SCHEMBL31603070 0.72 DRD2 (0.43) DRD2DRD3MAPTHTTALDH1A1
SCHEMBL12355152 0.71 MEN1 (0.49) ALDH1A1MEN1KMT2APABPC1
SCHEMBL12355151 0.71 MEN1 (0.49) ALDH1A1MEN1KMT2APABPC1
SCHEMBL12355149 0.70 ADRA2A (0.38) DRD2DRD3HCRTR2CYP19A1ADRA2A

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 307/4885MAPT 3647/4885

“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.