SCHEMBL2542728

SCHEMBL2542728

O=C(O)c1cccnc1N1CCCN(CC2COc3ccccc3O2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 12/20 0.60
ADRA2A P08913 11/20 0.60
ADRA2B P18089 11/20 0.60
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
SCN1A P35498 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
GBA1 P04062 1/20 0.51
HTR1A P08908 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
DRD2 P14416 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
SCHEMBL2552221 0.91 ADRA2C (0.59) ADRA2CADRA2AADRA2BADRA1DADRA1A
SCHEMBL2462133 0.85 ADRA2C (0.52) ADRA2CADRA2AADRA2BGBA1HTR1A
SCHEMBL2544710 0.84 ADRA2C (0.71) ADRA2CADRA2AADRA2BADRA1DADRA1A
SCHEMBL2544709 0.84 ADRA2C (0.71) ADRA2CADRA2AADRA2BADRA1DADRA1A
SCHEMBL2548199 0.82 ADRA2A (0.61) ADRA2CADRA2AADRA2BADRA1DADRA1A
SCHEMBL2454473 0.81 ADRA2A (0.63) ADRA2CADRA2AADRA2BADRA1DADRA1A
SCHEMBL2548228 0.80 ADRA2A (0.76) ADRA2CADRA2AADRA2BADRA1DADRA1A
SCHEMBL2549133 0.80 ADRA2A (0.76) ADRA2CADRA2AADRA2BADRA1DADRA1A
SCHEMBL29791112 0.80 ADRA2A (0.76) ADRA2CADRA2AADRA2BADRA1DADRA1A
SCHEMBL2548729 0.77 GAA (0.59) GBA1

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-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2011-10-27 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-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ADRA2C, ADRA2A, HTR2C ADRA2C 1/4885ADRA2A 2/4885ADRA2B 5/4885

“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.