SCHEMBL20179482

SCHEMBL20179482

Fc1ccc2c(c1)CC[C@@H](CCNCc1ccccc1)O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.49
DRD3 P35462 10/20 0.49
DRD4 P21917 9/20 0.49
DRD1 P21728 2/20 0.49
DRD5 P21918 2/20 0.49
HTR1A P08908 2/20 0.47
MLNR O43193 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
KCNE1 P15382 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CNR1 P21554 1/20 0.46
SLC6A2 P23975 1/20 0.46
NPY1R P25929 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL23940685 1.00 DRD2 (0.49) DRD2DRD3DRD4DRD1DRD5
Hydrochloric Acid SCHEMBL8864656 0.87 DRD2 (0.62) DRD2DRD3DRD4DRD1DRD5
Hydrochloric Acid SCHEMBL8864139 0.87 DRD2 (0.62) DRD2DRD3DRD4DRD1DRD5
Hydrochloric Acid SCHEMBL8864132 0.87 DRD2 (0.62) DRD2DRD3DRD4DRD1DRD5
SCHEMBL23940707 0.79 DRD2 (0.65) DRD2DRD3DRD4DRD1DRD5
SCHEMBL14676000 0.79 DRD2 (0.48) DRD2DRD3DRD4DRD1DRD5
SCHEMBL14676188 0.79 DRD2 (0.48) DRD2DRD3DRD4DRD1DRD5
SCHEMBL6819900 0.78 DRD2 (0.49) DRD2DRD3DRD4DRD1DRD5
SCHEMBL20007096 0.78 DRD2 (0.46) DRD2DRD3HTR1AMLNRADRB2
SCHEMBL23940671 0.76 HTR1A (0.78) DRD2DRD3HTR1AMLNRADRB2

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-20180141926-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2018-05-24 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-20180141926-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF CYP4A11, CYP11B2, ADRB1 DRD2 205/4885DRD3 237/4885DRD4 90/4885

“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.