SCHEMBL2410001

SCHEMBL2410001

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.42
HCRTR2 O43614 11/20 0.42
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
THRB P10828 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1965767 0.93 HCRTR1 (0.48) HCRTR1HCRTR2GAATSHR
SCHEMBL1967471 0.92 CHRM5 (0.42) HCRTR1HCRTR2KDM4ENPC1
SCHEMBL1967329 0.91 HCRTR1 (0.50) HCRTR1HCRTR2NPC1
SCHEMBL1969317 0.90 HCRTR1 (0.43) HCRTR1HCRTR2GAAOXTRAVPR1A
SCHEMBL2406960 0.89 HCRTR1 (0.43) HCRTR1HCRTR2KDM4ESMN1; SMN2NPC1
SCHEMBL2407884 0.87 TP53 (0.42) HCRTR1HCRTR2SMN1; SMN2GAATP53
SCHEMBL1969287 0.85 KDM4E (0.41) HCRTR1HCRTR2KDM4ESMN1; SMN2NPSR1
SCHEMBL1971609 0.85 HCRTR1 (0.51) HCRTR1HCRTR2KDM4ESMN1; SMN2TP53
SCHEMBL1970040 0.84 HCRTR1 (0.38) HCRTR1HCRTR2KDM4EGAATSHR
SCHEMBL1971975 0.84 HCRTR1 (0.50) HCRTR1HCRTR2KDM4ESMN1; SMN2NPC1

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 1/4885KDM4E 452/4885

“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.