SCHEMBL1968411

SCHEMBL1968411

COc1ccccc1CCN(CC1CC1)C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.43
HCRTR2 O43614 14/20 0.43
OXTR P30559 2/20 0.41
AVPR1A P37288 2/20 0.41
WDR5 P61964 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL2405458 0.90 HCRTR1 (0.44) HCRTR1HCRTR2OXTRAVPR1AWDR5
SCHEMBL1972060 0.89 HCRTR1 (0.44) HCRTR1HCRTR2OXTRAVPR1AWDR5
SCHEMBL1967032 0.89 HCRTR1 (0.46) HCRTR1HCRTR2OXTR
SCHEMBL2407371 0.88 HCRTR1 (0.42) HCRTR1HCRTR2OXTRAVPR1A
SCHEMBL1969612 0.88 HCRTR1 (0.42) HCRTR1HCRTR2OXTRAVPR1AWDR5
SCHEMBL2408535 0.88 HCRTR2 (0.43) HCRTR1HCRTR2OXTRAVPR1AWDR5
SCHEMBL2405462 0.86 HCRTR1 (0.47) HCRTR1HCRTR2OXTRAVPR1AWDR5
SCHEMBL2406276 0.86 HCRTR1 (0.43) HCRTR1HCRTR2OXTRAVPR1A
SCHEMBL1970052 0.86 HCRTR1 (0.48) HCRTR1HCRTR2OXTRAVPR1A
SCHEMBL1969001 0.86 HCRTR1 (0.41) HCRTR1HCRTR2OXTRAVPR1A

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 1/4885OXTR 16/4885

“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.