SCHEMBL1971653

SCHEMBL1971653

COc1ccc2[nH]cc(CCN(CC3CC3)C(=O)c3nc(N(C)C)sc3-c3cccc(C)c3)c2c1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.40
HCRTR1 O43613 14/20 0.40
HTR6 P50406 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
WDR5 P61964 1/20 0.33
HTR1A P08908 1/20 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
SCHEMBL1976216 0.93 HCRTR1 (0.36) HCRTR2HCRTR1HTR6CDK4CCND1
SCHEMBL1975268 0.89 HCRTR1 (0.36) HCRTR2HCRTR1WDR5HTR1A
SCHEMBL1968911 0.89 HCRTR1 (0.39) HCRTR2HCRTR1HTR6CDK4CCND1
SCHEMBL1967140 0.85 HCRTR1 (0.50) HCRTR2HCRTR1
SCHEMBL2406278 0.84 HCRTR2 (0.41) HCRTR2CDK4CCND1HTR1A
SCHEMBL1970973 0.81 HTR2A (0.41) HCRTR2HCRTR1HTR6CDK4CCND1
SCHEMBL1970279 0.81 HCRTR2 (0.36) HCRTR2HCRTR1CDK4CCND1
SCHEMBL2408710 0.80 HCRTR2 (0.43) HCRTR2HCRTR1WDR5HTR1A
SCHEMBL2406479 0.78 HTR2A (0.39) HCRTR2HCRTR1CDK4CCND1
SCHEMBL1968457 0.78 HCRTR1 (0.60) HCRTR2HCRTR1

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 6 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
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO 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.