SCHEMBL2406218

SCHEMBL2406218

COc1ccc(C(O)CN(CC2CC2)C(=O)c2nc(C3CC3)sc2-c2ccc(C)cc2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.40
HCRTR2 O43614 10/20 0.40
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4B Q07343 1/20 0.35
TXNRD1 Q16881 1/20 0.34
LTC4S Q16873 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 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
SCHEMBL1969020 0.93 HCRTR1 (0.42) HCRTR1HCRTR2PDE4BLTC4SMAPT
SCHEMBL1973040 0.93 HCRTR1 (0.38) HCRTR1HCRTR2TP53HTTPDE4B
SCHEMBL1967942 0.91 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL1969724 0.90 HCRTR1 (0.42) HCRTR1HCRTR2OXTRAVPR1ATP53
SCHEMBL2404306 0.89 OXTR (0.38) HCRTR1HCRTR2OXTRAVPR1ATP53
SCHEMBL2406784 0.88 HCRTR1 (0.39) HCRTR1HCRTR2TP53
SCHEMBL1967810 0.86 AKR1C3 (0.39) HCRTR1HCRTR2NPSR1LTC4S
SCHEMBL1968038 0.85 HCRTR1 (0.33) HCRTR1HCRTR2PDE4BLTC4S
SCHEMBL2404671 0.84 HCRTR1 (0.43) HCRTR1HCRTR2OXTRAVPR1APDE4B
SCHEMBL1970670 0.84 HCRTR1 (0.44) HCRTR1HCRTR2PDE4BMAPTLMNA

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 1/4885OXTR 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.