SCHEMBL2404559

SCHEMBL2404559

Cc1ccc(C(CC2CC2)C(N)=O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.37
CCR3 P51677 1/20 0.34
TP53 P04637 2/20 0.33
FFAR2 O15552 1/20 0.33
MAPK14 Q16539 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
ACACB O00763 1/20 0.32
P2RX7 Q99572 1/20 0.32
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL2406045 0.85 PDE4B (0.40)
SCHEMBL2407534 0.83 ALOX5 (0.40) CNR2ALDH1A1FFAR2POLB
SCHEMBL2404444 0.81 PARP1 (0.40)
SCHEMBL2403528 0.79 ACHE (0.47) ALDH1A1
SCHEMBL2404978 0.78 LMNA (0.38) CNR2ALDH1A1CCR3
SCHEMBL2405158 0.78 ESR1 (0.41) FFAR2ALOX15HSD17B10CPB2
SCHEMBL2404081 0.76 BLM (0.49) HPGDALDH1A1HSD17B10GAA
SCHEMBL2405258 0.76 CA1 (0.42) POLB
SCHEMBL2406789 0.76 SLC6A4 (0.40) FFAR2ACACB
SCHEMBL25871714 0.76 HPGD (0.34) HPGDALDH1A1CCR3

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 CNR2 7/4885HPGD 2412/4885ALDH1A1 2292/4885

“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.