SCHEMBL2404671

SCHEMBL2404671

COc1ccc(C(O)CN(CC2CC2)C(=O)c2nc(C)sc2-c2cc(C)cc(C)c2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.43
HCRTR2 O43614 17/20 0.43
PDE4B Q07343 1/20 0.38
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL1965921 0.93 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1969058 0.92 HCRTR1 (0.45) HCRTR1HCRTR2PDE4B
SCHEMBL1970670 0.92 HCRTR1 (0.44) HCRTR1HCRTR2PDE4BLMNAMAPT
SCHEMBL2405009 0.90 HCRTR1 (0.44) HCRTR1HCRTR2PDE4BOXTRAVPR1A
SCHEMBL1971731 0.89 HCRTR1 (0.46) HCRTR1HCRTR2PDE4BLMNAMAPT
SCHEMBL2407515 0.89 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2405085 0.89 HCRTR1 (0.43) HCRTR1HCRTR2PDE4B
SCHEMBL1967847 0.88 HCRTR1 (0.43) HCRTR1HCRTR2PDE4BOXTRAVPR1A
SCHEMBL2405039 0.88 HCRTR1 (0.40) HCRTR1HCRTR2PDE4BOXTRAVPR1A
SCHEMBL1966768 0.85 HCRTR1 (0.45) HCRTR1HCRTR2PDE4BOXTRAVPR1A

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 2 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

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 1/4885PDE4B 822/4885

“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.