SCHEMBL2408907

SCHEMBL2408907

COc1ccc(-c2sc(C)nc2C(=O)N(CCc2c[nH]c3cc(F)c(Cl)cc23)CC2CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.42
HCRTR2 O43614 11/20 0.42
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
TDO2 P48775 1/20 0.36
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
HTR1A P08908 2/20 0.33

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
SCHEMBL2405425 0.95 HCRTR2 (0.42) HCRTR1HCRTR2PRKAG1PRKAA1PRKAB1
SCHEMBL2410004 0.90 HCRTR2 (0.45) HCRTR1HCRTR2TDO2HTR1A
SCHEMBL2404417 0.90 TDO2 (0.45) HCRTR1HCRTR2TDO2HTR1A
SCHEMBL2405315 0.90 HCRTR2 (0.42) HCRTR1HCRTR2PRKAG1PRKAA1PRKAB1
SCHEMBL2408416 0.88 HCRTR2 (0.45) HCRTR1HCRTR2MTNR1AMTNR1BHTR1A
SCHEMBL2406018 0.88 HCRTR2 (0.41) HCRTR1HCRTR2PRKAG1PRKAA1PRKAB1
SCHEMBL2404990 0.88 HCRTR2 (0.41) HCRTR1HCRTR2PRKAG1PRKAA1PRKAB1
SCHEMBL2405186 0.87 HCRTR2 (0.53) HCRTR1HCRTR2MTNR1AMTNR1BHTR1A
SCHEMBL2409735 0.87 HCRTR2 (0.46) HCRTR1HCRTR2TDO2MTNR1AMTNR1B
SCHEMBL2407062 0.85 HCRTR1 (0.39) HCRTR1HCRTR2

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 2 patents. 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 claimed
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 HCRTR1 2/4885HCRTR2 1/4885PRKAG1 3397/4885

“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.