SCHEMBL16233141

SCHEMBL16233141

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.54
ADRA2C P18825 1/20 0.54
LMNA P02545 1/20 0.54
HIF1A Q16665 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.52
AOC3 Q16853 2/20 0.48
DPP4 P27487 2/20 0.48
F2 P00734 1/20 0.48
TAAR1 Q96RJ0 3/20 0.46
CYP2D6 P10635 1/20 0.41

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
SCHEMBL825973 0.84 AOC3 (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E
Hydrogen Peroxide SCHEMBL27283588 0.81 AOC3 (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL10738648 0.81 TAAR1 (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL3886956 0.77 AOC3 (0.45) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL5329951 0.76 SLC7A5 (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL15222220 0.75 ADRA2C (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8094329 0.75 AOC3 (0.43) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL21789841 0.75 ADRA2C (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL17084095 0.75 ADRA2C (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL7528534 0.75 TAAR1 (0.46) ADRA2AADRA2CLMNAHIF1AKDM4E

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-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2014-11-13 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-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT ADRA2A 3818/4885ADRA2C 3380/4885LMNA 2102/4885

“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.