SCHEMBL1966986

SCHEMBL1966986

COc1ccc(CCN(CC2CC2)C(=O)c2nc(C)oc2-c2cccc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.40
LTC4S Q16873 1/20 0.40
MCHR1 Q99705 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER1 P34995 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F7 P08709 1/20 0.37
NPC1 O15118 2/20 0.37
CASP6 P55212 1/20 0.37
MAPT P10636 1/20 0.37
PPARD Q03181 1/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2406402 0.89 HCRTR1 (0.47) HCRTR1HCRTR2KMT2ALMNASMN1; SMN2
SCHEMBL1968184 0.83 LTC4S (0.42) HCRTR1HCRTR2KDM4ETDP1KMT2A
SCHEMBL1969287 0.82 KDM4E (0.41) HCRTR1HCRTR2KDM4ETDP1KMT2A
SCHEMBL1971709 0.81 RORB (0.42) HCRTR1HCRTR2KDM4ETDP1KMT2A
SCHEMBL1966114 0.76 HCRTR1 (0.47) HCRTR1HCRTR2KMT2ANPSR1
SCHEMBL1968227 0.74 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2MAPT
SCHEMBL1966599 0.74 MAPT (0.40) HCRTR1HCRTR2KMT2ANPSR1LMNA
SCHEMBL1971975 0.74 HCRTR1 (0.50) HCRTR1HCRTR2KDM4ETDP1SMN1; SMN2
SCHEMBL1970040 0.74 HCRTR1 (0.38) HCRTR1HCRTR2KDM4ETDP1KMT2A
SCHEMBL1968457 0.74 HCRTR1 (0.60) HCRTR1HCRTR2NPC1

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 3 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
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP 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.