Sugi Predict

Sugi Predict / Compounds / SCHEMBL1966768

SCHEMBL1966768

SCHEMBL1966768

COc1ccc(C(O)CN(CC2CC2)C(=O)c2nc(Br)sc2-c2cccc(C)c2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 12/20 0.45
▸ HCRTR2 O43614 12/20 0.45
▸ OXTR P30559 1/20 0.35
▸ AVPR1A P37288 1/20 0.35
▸ LTC4S Q16873 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CTSA P10619 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 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
SCHEMBL1965921 0.93 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1967781 0.92 HCRTR1 (0.45) HCRTR1HCRTR2OXTRAVPR1ALTC4S
SCHEMBL1967405 0.91 HCRTR1 (0.44) HCRTR1HCRTR2OXTRAVPR1ALTC4S
SCHEMBL1968132 0.91 HCRTR1 (0.44) HCRTR1HCRTR2OXTRAVPR1ALTC4S
SCHEMBL1967942 0.91 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2405173 0.86 HCRTR2 (0.40) HCRTR1HCRTR2OXTRAVPR1ALTC4S
SCHEMBL2404671 0.85 HCRTR1 (0.43) HCRTR1HCRTR2OXTRAVPR1APDE4B
SCHEMBL1970670 0.85 HCRTR1 (0.44) HCRTR1HCRTR2PDE4BMAPTLMNA
SCHEMBL1967823 0.84 HCRTR1 (0.51) HCRTR1HCRTR2NPC1SMN1; SMN2
SCHEMBL1966594 0.83 KDM4E (0.43) HCRTR1HCRTR2LTC4SPDE4BKDM4E

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 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.