SCHEMBL30002281

SCHEMBL30002281

Cc1cccc(OCC(O)CNCCNc2cc(C)ccc2C)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.58
ADRB1 P08588 4/20 0.58
HTR1A P08908 1/20 0.57
ADRA2C P18825 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
HTR2B P41595 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KCNH2 Q12809 1/20 0.57
ADRB3 P13945 3/20 0.51
ATM Q13315 1/20 0.49
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL20553028 1.00 ADRB2 (0.58) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL11235495 0.92 ATM (0.59) ADRB2ADRB1HTR1AADRA2CSLC6A4
Hydrochloric Acid SCHEMBL11239636 0.91 ATM (0.58) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL20553595 0.82 ADRB2 (0.57) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL30001555 0.82 ADRB2 (0.57) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL10740750 0.82 ADRB2 (0.67) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL10738074 0.81 ADRB2 (0.65) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL11238941 0.80 ATM (0.56) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL11241619 0.79 ATM (0.56) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL8057887 0.79 ATM (0.72) ADRB2ADRB1HTR1AADRA2CSLC6A4

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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 ADRB2 61/4885ADRB1 129/4885HTR1A 24/4885

“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.