SCHEMBL5021148

SCHEMBL5021148

COc1ccc(CO)c2c1CCCC2N

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.50
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL10280591 0.83 S1PR1 (0.34) ADRA1A
SCHEMBL1616320 0.83 ADRA1A (0.60) ADRA1ADRD2DRD3
SCHEMBL11853960 0.78 ADRA1A (0.54) ADRA1ADRD2DRD3
Hydrochloric Acid SCHEMBL11856738 0.77 ADRA1A (0.53) ADRA1A
SCHEMBL354140 0.73 ADRA1A (0.58) ADRA1ADRD2DRD3
SCHEMBL25248558 0.70 HTR1A (0.53) ADRA1A
SCHEMBL30510688 0.70 HTR1A (0.53) ADRA1A
Hydrochloric Acid SCHEMBL30510682 0.69 HTR1A (0.52) ADRA1A
Hydrochloric Acid SCHEMBL25293937 0.69 HTR1A (0.52) ADRA1A
SCHEMBL10602964 0.68 CA1 (0.58) ADRA1ADRD2DRD3

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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B ADRA1A 67/4885DRD2 28/4885DRD3 115/4885

“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.