SCHEMBL2404081

SCHEMBL2404081

COc1cc(C(CC2CC2)C(N)=O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.49
TSHR P16473 2/20 0.49
NFKB1 P19838 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.48
PMP22 Q01453 1/20 0.48
CYP3A4 P08684 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
F2 P00734 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC22A3 O75751 1/20 0.42
BCHE P06276 1/20 0.42
TYR P14679 1/20 0.42
ACHE P22303 1/20 0.42
LMNA P02545 1/20 0.42
ROCK2 O75116 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
SCHEMBL2403528 0.91 ACHE (0.47) NPSR1ALDH1A1ACHE
SCHEMBL2404782 0.85 PDE4B (0.47) TSHRALDH1A1LMNA
SCHEMBL2406045 0.84 PDE4B (0.40) ACHE
SCHEMBL2405230 0.84 MAPK1 (0.51) TSHRNPSR1GAAMEN1KMT2A
SCHEMBL2406182 0.84 PDE4B (0.42) ACHE
SCHEMBL2410391 0.83 PDE4B (0.46) ACHE
SCHEMBL2403865 0.82 TDP1 (0.42) KMT2A
SCHEMBL2405482 0.81 PDE4B (0.36) NPSR1MEN1KMT2AALDH1A1ACHE
SCHEMBL2405713 0.80 BLM (0.47) BLMTSHRNFKB1NPSR1GAA
SCHEMBL2405258 0.79 CA1 (0.42) KMT2A

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 BLM 4200/4885TSHR 289/4885NFKB1 2985/4885

“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.