SCHEMBL5576689

SCHEMBL5576689

CC(C)(C)NC[C@H](N)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.47
CYP2D6 P10635 2/20 0.45
CACNA1F O60840 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2B P18089 1/20 0.43
CHRM3 P20309 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
OPRK1 P41145 1/20 0.43
CACNA1D Q01668 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
AOC3 Q16853 1/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL17091536 1.00 GBA1 (0.47) GBA1CYP2D6CACNA1FCHRM2CHRM1
SCHEMBL12205817 0.81 HRH1 (0.52) CYP2D6CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL468965 0.79 DPP4 (0.45) CYP2D6CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL13900797 0.78 TAAR1 (0.59) CYP2D6CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL24724279 0.77 TAAR1 (0.57) GBA1CYP2D6HRH1SLC6A3KCNH2
SCHEMBL8227223 0.77 TAAR1 (0.57) GBA1CYP2D6HRH1SLC6A3KCNH2
SCHEMBL14143114 0.77 TAAR1 (0.57) GBA1CYP2D6HRH1SLC6A3KCNH2
SCHEMBL421051 0.76 KDM4E (0.61) CYP2D6ADRA1AOPRK1SLC6A3AOC3
SCHEMBL421063 0.76 KDM4E (0.61) CYP2D6ADRA1AOPRK1SLC6A3AOC3
SCHEMBL3672484 0.76 KDM4E (0.61) CYP2D6ADRA1AOPRK1SLC6A3AOC3

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-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 GBA1 3249/4885CYP2D6 3925/4885CACNA1F 4248/4885

“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.