SCHEMBL1969060

SCHEMBL1969060

COC(=O)CN(CCc1c[nH]c2ccc(F)cc12)C(=O)c1nc(N(C)C)sc1-c1ccc(C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.41
MPO P05164 7/20 0.41
NOTUM Q6P988 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HCRTR2 O43614 4/20 0.39
HTR2A P28223 4/20 0.39
HCRTR1 O43613 3/20 0.39
SLC6A4 P31645 2/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 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
SCHEMBL1970638 0.93 MPO (0.44) SPRMPONOTUMMTNR1AMTNR1B
SCHEMBL1968218 0.93 SPR (0.43) SPRMPONOTUMMTNR1AMTNR1B
SCHEMBL1971725 0.90 CDK4 (0.42) HCRTR2HCRTR1CDK4CCND1
SCHEMBL28792209 0.88 MPO (0.41) SPRMPONOTUMMTNR1AMTNR1B
SCHEMBL2404517 0.87 HTR1A (0.42) MPONOTUMMTNR1AMTNR1BHCRTR2
SCHEMBL1971813 0.87 CDK4 (0.42) HTR2AHTR1BCDK4CCND1
SCHEMBL1973792 0.86 CDK4 (0.51) HCRTR2HCRTR1CDK4CCND1
SCHEMBL1969895 0.85 CDK4 (0.49) HTR2AHTR1BCDK4CCND1
SCHEMBL1971119 0.83 HCRTR2 (0.49) SPRMPONOTUMMTNR1AMTNR1B
SCHEMBL2406302 0.82 SPR (0.44) SPRMPONOTUMMTNR1AMTNR1B

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 SPR 3781/4885MPO 3915/4885NOTUM 3663/4885

“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.