SCHEMBL13963752

SCHEMBL13963752

c1ccc2c(c1)CN[C@H]1COc3ccccc3[C@H]21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 7/20 0.69
DRD2 P14416 5/20 0.69
DRD4 P21917 4/20 0.69
DRD3 P35462 2/20 0.69
ADRA2A P08913 1/20 0.69
ADRA2B P18089 1/20 0.69
ADRA2C P18825 1/20 0.69
DRD5 P21918 1/20 0.69
MAPK1 P28482 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
PKM P14618 2/20 0.48
CYP2C19 P33261 1/20 0.48
ADRB2 P07550 1/20 0.48

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
SCHEMBL13963751 1.00 DRD1 (0.69) DRD1DRD2DRD4DRD3ADRA2A
Doxanthrine SCHEMBL13974053 0.82 DRD1 (1.00) DRD1DRD2DRD4DRD3ADRA2A
Doxanthrine SCHEMBL7943399 0.82 DRD1 (1.00) DRD1DRD2DRD4DRD3ADRA2A
SCHEMBL3952852 0.82 DRD1 (0.71) DRD1DRD2DRD4DRD3ADRA2A
SCHEMBL13963755 0.82 DRD1 (0.71) DRD1DRD2DRD4DRD3ADRA2A
Doxanthrine SCHEMBL29380697 0.82 DRD1 (1.00) DRD1DRD2DRD4DRD3ADRA2A
Doxanthrine SCHEMBL13963759 0.82 DRD1 (1.00) DRD1DRD2DRD4DRD3ADRA2A
SCHEMBL13974052 0.82 DRD1 (0.71) DRD1DRD2DRD4DRD3ADRA2A
Doxanthrine SCHEMBL13963768 0.82 DRD1 (1.00) DRD1DRD2DRD4DRD3ADRA2A
SCHEMBL13963761 0.82 DRD1 (0.71) DRD1DRD2DRD4DRD3ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318938-B2 Trans-fused chromenoisoquinolines synthesis and methods for use PURDUE RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE PURDUE RESEARCH FOUNDATION (US) 2009-01-29 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-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE SLC6A3, HTR3B, SLC18A2 DRD1 23/4885DRD2 4/4885DRD4 13/4885

“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.