SCHEMBL2406261

SCHEMBL2406261

Brc1ccc2[nH]cc(CCNCC3CC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
SLC6A4 P31645 4/20 0.56
HTR2A P28223 3/20 0.56
TRPM8 Q7Z2W7 1/20 0.56
GPR84 Q9NQS5 1/20 0.54
HTR1A P08908 4/20 0.52
MPO P05164 3/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
CSNK2A1 P68400 1/20 0.48
SPR P35270 1/20 0.47
HTR2C P28335 2/20 0.47
ADRA2A P08913 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1D P25100 1/20 0.47

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
SCHEMBL1970036 0.84 MPO (0.70) MTNR1AMTNR1BSLC6A4HTR2ATRPM8
SCHEMBL1976170 0.84 MTNR1A (0.61) MTNR1AMTNR1BSLC6A4HTR2AHTR1A
SCHEMBL1968662 0.81 HTR2A (0.71) MTNR1AMTNR1BHTR2AHTR1AMPO
SCHEMBL1968351 0.81 BCHE (0.67) MTNR1ASLC6A4HTR2AHTR1ABCHE
SCHEMBL765005 0.80 MTNR1A (0.68) MTNR1AMTNR1BSLC6A4HTR2ATRPM8
SCHEMBL19838836 0.80 SLC6A4 (0.83) MTNR1AMTNR1BSLC6A4HTR2ATRPM8
SCHEMBL10119820 0.80 SLC6A4 (0.72) MTNR1AMTNR1BSLC6A4HTR2ATRPM8
SCHEMBL2402869 0.78 GPR84 (0.51) MTNR1AMTNR1BSLC6A4GPR84HTR1A
SCHEMBL5430044 0.78 HTR2A (0.80) MTNR1AMTNR1BSLC6A4HTR2ATRPM8
SCHEMBL10648384 0.77 CHRNB2 (0.78) MTNR1AMTNR1BSLC6A4HTR2ATRPM8

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 1 patent. 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 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 22/4885SLC6A4 781/4885

“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.