SCHEMBL2405082

SCHEMBL2405082

COc1cccc2c(CC(=O)N(C)C3CC3)c[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.54
▸ MTNR1A P48039 1/20 0.52
▸ MTNR1B P49286 1/20 0.52
▸ HTR2A P28223 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ BCHE P06276 9/20 0.45
▸ ACHE P22303 9/20 0.45
▸ SIGMAR1 Q99720 1/20 0.43
▸ CCR5 P51681 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ HTR1A P08908 1/20 0.42

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
SCHEMBL2405195 0.84 HTR2A (0.47) HTR2AALDH1A1HPGDBCHEACHE
SCHEMBL2406529 0.83 MPO (0.50) CCR5
SCHEMBL7867310 0.79 MTNR1A (0.66) HTR6MTNR1AMTNR1BHTR2AKDM4E
SCHEMBL21808835 0.79 MTNR1A (0.62) HTR6MTNR1AMTNR1BHTR2AKDM4E
SCHEMBL30708156 0.79 MTNR1A (0.62) HTR6MTNR1AMTNR1BHTR2AKDM4E
SCHEMBL2404021 0.79 SIGMAR1 (0.62) HPGDSIGMAR1CCR5
SCHEMBL1969126 0.77 HTR6 (0.72) HTR6MTNR1AMTNR1BHTR2ABCHE
SCHEMBL21808890 0.77 PKM (0.61) HTR6MTNR1AMTNR1BHTR2AKDM4E
SCHEMBL25139456 0.76 MTNR1A (0.60) HTR6MTNR1AMTNR1BHTR2AKDM4E
SCHEMBL25139803 0.76 MTNR1A (0.60) HTR6MTNR1AMTNR1BHTR2AKDM4E

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 HTR6 177/4885MTNR1A 23/4885MTNR1B 22/4885

“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.

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