SCHEMBL2408119

SCHEMBL2408119

Cc1ccccc1C(CC1CC1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.36
EPHX1 P07099 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 1/20 0.34
ESR1 P03372 1/20 0.34
ACP3 P15309 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL2404978 0.82 LMNA (0.38) ALDH1A1CNR2EPHX1MEN1KMT2A
SCHEMBL2405759 0.82 CACNA2D1 (0.38) ALDH1A1CNR2KDM4EMEN1HPGD
SCHEMBL2404025 0.82 POLB (0.42) ALDH1A1KDM4EMEN1CYP1A2CYP2C9
SCHEMBL2030601 0.78 ALDH1A1 (0.44) NR3C2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL2405197 0.77 BRPF1 (0.44) ALDH1A1CNR2HPGD
SCHEMBL27437633 0.77 EPHX1 (0.56) EPHX1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL5607127 0.76 ALDH1A1 (0.42) NR3C2ALDH1A1EPHX1HPGDROCK2
SCHEMBL2407534 0.74 ALOX5 (0.40) ALDH1A1CNR2EPHX1MEN1CYP2C9
SCHEMBL14678497 0.74 EPHX1 (0.62) NR3C2ALDH1A1KDM4EEPHX1MEN1
SCHEMBL11082535 0.74 ALDH1A1 (0.41) NR3C2ALDH1A1EPHX1KMT2AROCK2

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 NR3C2 557/4885ALDH1A1 2292/4885CNR2 7/4885

“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.