SCHEMBL1970326

SCHEMBL1970326

COc1ccc(CCN(CC2CC2)C(=O)c2nc(N)sc2-c2cccc(C)c2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.44
HCRTR2 O43614 13/20 0.44
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL1967334 0.93 HCRTR1 (0.51) HCRTR1HCRTR2NPC1ALDH1A1
SCHEMBL1970881 0.92 HCRTR1 (0.45) HCRTR1HCRTR2NPC1ALDH1A1OXTR
SCHEMBL1971125 0.90 HCRTR1 (0.44) HCRTR1HCRTR2DRD2DRD3
SCHEMBL1969095 0.89 HCRTR1 (0.46) HCRTR1HCRTR2NPC1DRD2DRD3
SCHEMBL1965725 0.89 HCRTR1 (0.46) HCRTR1HCRTR2NPC1DRD2DRD3
SCHEMBL1966616 0.89 HCRTR1 (0.43) HCRTR1HCRTR2NPC1OXTRAVPR1A
SCHEMBL1968475 0.88 HCRTR1 (0.45) HCRTR1HCRTR2ALDH1A1
SCHEMBL1969080 0.88 HCRTR1 (0.45) HCRTR1HCRTR2NPC1DRD2DRD3
SCHEMBL1972064 0.88 HCRTR1 (0.45) HCRTR1HCRTR2NPC1DRD2DRD3
SCHEMBL1968757 0.88 HCRTR1 (0.44) HCRTR1HCRTR2ALDH1A1

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
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP 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

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 1/4885NPC1 1540/4885

“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.