SCHEMBL2406783

SCHEMBL2406783

CN(CCc1c[nH]c2ccc(F)cc12)CCN(C)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.68
HTR2A P28223 6/20 0.67
MPO P05164 9/20 0.64
SLC6A4 P31645 4/20 0.58
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
HTR1D P28221 2/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2C P28335 1/20 0.52
HTR1E P28566 1/20 0.52
HTR7 P34969 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL2404720 0.98 HTR6 (0.71) HTR6HTR2AMPOSLC6A4LMNA
SCHEMBL2404357 0.83 MPO (0.77) HTR6HTR2AMPOSLC6A4HTR1D
SCHEMBL8416479 0.83 HTR6 (0.71) HTR6HTR2ASLC6A4LMNAGAA
SCHEMBL8914786 0.83 HTR6 (0.71) HTR6HTR2ASLC6A4LMNAGAA
SCHEMBL2405100 0.82 HTR2A (0.74) HTR6HTR2AMPOSLC6A4HTR1D
SCHEMBL24693992 0.82 HTR2A (0.82) HTR6HTR2AMPOSLC6A4HTR1D
SCHEMBL25172857 0.82 LMNA (0.76) HTR6HTR2ASLC6A4LMNAGAA
SCHEMBL10745433 0.82 HTR6 (0.69) HTR6HTR2ASLC6A4LMNAGAA
SCHEMBL30515262 0.81 HTR2A (0.76) HTR6HTR2AMPOSLC6A4HTR1D
SCHEMBL25311233 0.81 HTR2A (0.76) HTR6HTR2AMPOSLC6A4HTR1D

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 HTR6 177/4885HTR2A 46/4885MPO 3915/4885

“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.