SCHEMBL2409663

SCHEMBL2409663

Cc1nc(C(=O)N(CCc2c[nH]c3ccc(Br)cc23)CC2CC2)c(-c2ccc(C)c(C)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HCRTR2 O43614 11/20 0.40
SLC6A4 P31645 3/20 0.38
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
HCRTR1 O43613 10/20 0.37
HTR2A P28223 2/20 0.36
HTR1A P08908 2/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2C P28335 1/20 0.36
HTR1E P28566 1/20 0.36
HTR7 P34969 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 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
SCHEMBL2410043 0.92 HCRTR2 (0.40) MTNR1AMTNR1BHCRTR2SLC6A4HTR1D
SCHEMBL2407858 0.91 HTR1A (0.44) MTNR1AMTNR1BHCRTR2SLC6A4HTR2A
SCHEMBL2405245 0.90 CDK4 (0.42) HCRTR2HCRTR1OPRM1CDK4CCND1
SCHEMBL2408086 0.89 HCRTR2 (0.51) MTNR1AMTNR1BHCRTR2HTR1DHTR1B
SCHEMBL2407485 0.87 HCRTR2 (0.39) HCRTR2HTR1DHTR1BHCRTR1HTR2A
SCHEMBL2410403 0.86 HTR1A (0.40) HCRTR2SLC6A4HCRTR1HTR1ACDK4
SCHEMBL2404821 0.86 HCRTR2 (0.39) HCRTR2SLC6A4HCRTR1
SCHEMBL2403617 0.85 HTR1A (0.47) MTNR1AMTNR1BSLC6A4HTR2AHTR1A
SCHEMBL2406057 0.85 HTR1A (0.45) MTNR1AMTNR1BHCRTR2SLC6A4HCRTR1
SCHEMBL2405508 0.85 HCRTR2 (0.45) MTNR1AMTNR1BHCRTR2HCRTR1HTR2A

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 MTNR1A 23/4885MTNR1B 22/4885HCRTR2 1/4885

“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.