SCHEMBL1971191

SCHEMBL1971191

COc1ccc(CCN(CC2CC2)C(=O)c2sc(C)nc2-c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
CRHR1 P34998 2/20 0.39
GAA P10253 1/20 0.39
LTC4S Q16873 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 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
SCHEMBL1970593 0.93 HCRTR1 (0.42) LMNAMAPTSMN1; SMN2HCRTR1HCRTR2
SCHEMBL1967996 0.92 HCRTR1 (0.46) LMNAMAPTHCRTR1HCRTR2GAA
SCHEMBL1967450 0.91 HCRTR1 (0.48) LMNAMAPTSMN1; SMN2HCRTR1HCRTR2
SCHEMBL1966599 0.89 MAPT (0.40) LMNAMAPTHCRTR1HCRTR2GAA
SCHEMBL1968387 0.87 HCRTR1 (0.48) LMNAMAPTSMN1; SMN2HCRTR1HCRTR2
SCHEMBL1971709 0.84 RORB (0.42) LMNAMAPTSMN1; SMN2HCRTR1HCRTR2
SCHEMBL1968066 0.83 LMNA (0.39) LMNAMAPTHCRTR1HCRTR2CRHR1
SCHEMBL2406668 0.80 HCRTR1 (0.48) MAPTSMN1; SMN2HCRTR1HCRTR2GAA
SCHEMBL1971609 0.79 HCRTR1 (0.51) LMNATP53MAPTSMN1; SMN2HCRTR1
SCHEMBL2405222 0.78 HCRTR1 (0.50) MAPTSMN1; SMN2HCRTR1HCRTR2ALDH1A1

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 LMNA 2416/4885TP53 4826/4885THRB 344/4885

“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.