SCHEMBL6760337

SCHEMBL6760337

COc1ccccc1N1CCC([C@@H](N)CC2COc3ccc(C(F)(F)F)cc3O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 7/20 0.51
ADRA1A P35348 7/20 0.51
ADRA1B P35368 7/20 0.51
HTR1A P08908 7/20 0.51
DRD2 P14416 2/20 0.51
DRD4 P21917 1/20 0.51
HTR2C P28335 1/20 0.51
DRD3 P35462 1/20 0.51
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CACNA1G O43497 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
CCR1 P32246 1/20 0.37

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
SCHEMBL6760327 0.93 ADRA1D (0.44) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6767401 0.86 ADRA1D (0.37) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6760336 0.81 ADRA1D (0.76) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6760326 0.75 ADRA1D (0.66) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7470285 0.71 ADRA1D (0.51) ADRA1DADRA1AADRA1BHTR1AADRA2A
SCHEMBL9028670 0.70 ADRA1D (0.70) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9028312 0.70 ADRA1D (0.70) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9028303 0.70 ADRA1D (0.70) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL6763076 0.70 ADRA1D (0.69) ADRA1DADRA1AADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL9027516 0.69 ADRA1D (0.68) ADRA1DADRA1AADRA1BHTR1ADRD2

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-20040039023-A1 Therapeutic agents KNOLL GMBH (DE) 2004-02-26 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-20040039023-A1 Therapeutic agents AMY1A, PARK7, SNCA ADRA1D 16/4885ADRA1A 27/4885ADRA1B 84/4885

“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.