SCHEMBL1968911

SCHEMBL1968911

COc1ccc2[nH]cc(CCN(CC3CC3)C(=O)c3nc(N(C)C)sc3-c3ccc(F)cc3)c2c1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.39
HCRTR2 O43614 9/20 0.39
HTR1A P08908 2/20 0.38
HTR6 P50406 1/20 0.33
SLC6A4 P31645 1/20 0.33
WDR5 P61964 2/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
HTR1F P30939 1/20 0.32

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) HCRTR1HCRTR2HTR1AHTR6WDR5
SCHEMBL1975268 0.92 HCRTR1 (0.36) HCRTR1HCRTR2HTR1ASLC6A4WDR5
SCHEMBL1971653 0.89 HCRTR2 (0.40) HCRTR1HCRTR2HTR1AHTR6WDR5
SCHEMBL1971910 0.83 HTR1A (0.38) HTR1AHTR6SLC6A4WDR5LPAR1
SCHEMBL2408710 0.82 HCRTR2 (0.43) HCRTR1HCRTR2HTR1AWDR5
SCHEMBL1969144 0.80 CDK4 (0.37) HCRTR1HCRTR2HTR1ASLC6A4CDK4
SCHEMBL2404517 0.80 HTR1A (0.42) HCRTR1HCRTR2HTR1ASLC6A4
SCHEMBL1970973 0.79 HTR2A (0.41) HCRTR1HCRTR2HTR1AHTR6CDK4
SCHEMBL2406278 0.78 HCRTR2 (0.41) HCRTR2HTR1ASLC6A4CDK4CCND1
SCHEMBL2406035 0.78 HTR1A (0.43) HCRTR1HCRTR2HTR1ASLC6A4

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 4 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
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 HCRTR1 2/4885HCRTR2 1/4885HTR1A 56/4885

“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.