SCHEMBL2409735

SCHEMBL2409735

COc1ccc2c(CCN(CC3CC3)C(=O)c3nc(C)sc3-c3ccc(OC)nc3)c[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 0.46
HCRTR1 O43613 9/20 0.41
HTR6 P50406 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
HTR2A P28223 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL2405186 0.94 HCRTR2 (0.53) HCRTR2HCRTR1HTR6MTNR1AMTNR1B
SCHEMBL2406018 0.93 HCRTR2 (0.41) HCRTR2HCRTR1MTNR1AMTNR1BCDK4
SCHEMBL2404417 0.93 TDO2 (0.45) HCRTR2HCRTR1TDO2
SCHEMBL2405315 0.92 HCRTR2 (0.42) HCRTR2HCRTR1TDO2
SCHEMBL2405425 0.91 HCRTR2 (0.42) HCRTR2HCRTR1MTNR1AMTNR1BTDO2
SCHEMBL2408416 0.89 HCRTR2 (0.45) HCRTR2HCRTR1HTR6MTNR1AMTNR1B
SCHEMBL2405508 0.89 HCRTR2 (0.45) HCRTR2HCRTR1HTR6MTNR1AMTNR1B
SCHEMBL2404990 0.89 HCRTR2 (0.41) HCRTR2HCRTR1HTR6MTNR1AMTNR1B
SCHEMBL2410004 0.88 HCRTR2 (0.45) HCRTR2HCRTR1TDO2
SCHEMBL2408907 0.87 HCRTR1 (0.42) HCRTR2HCRTR1MTNR1AMTNR1BTDO2

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 HCRTR2 1/4885HCRTR1 2/4885HTR6 177/4885

“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.