SCHEMBL2405100

SCHEMBL2405100

CCCN(CCc1c[nH]c2ccc(F)cc12)Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.74
MPO P05164 6/20 0.67
HTR1D P28221 4/20 0.61
TRPM8 Q7Z2W7 1/20 0.60
TRPV1 Q8NER1 1/20 0.60
SLC6A4 P31645 3/20 0.57
HTR1A P08908 2/20 0.57
ADRA2A P08913 1/20 0.57
DRD2 P14416 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2C P28335 1/20 0.57
HTR1E P28566 1/20 0.57
HTR7 P34969 1/20 0.57
ADRA1A P35348 1/20 0.57
HRH1 P35367 1/20 0.57
DRD3 P35462 1/20 0.57
OPRK1 P41145 1/20 0.57

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
SCHEMBL2404357 0.92 MPO (0.77) HTR2AMPOHTR1DTRPM8TRPV1
SCHEMBL24693252 0.88 HTR2A (0.90) HTR2AMPOHTR1DTRPM8SLC6A4
SCHEMBL30053751 0.88 HTR2A (0.90) HTR2AMPOHTR1DTRPM8SLC6A4
SCHEMBL24243711 0.85 HTR2A (1.00) HTR2AMPOHTR1DSLC6A4HTR1A
SCHEMBL30054225 0.85 HTR2A (1.00) HTR2AMPOHTR1DSLC6A4HTR1A
SCHEMBL2404163 0.85 MPO (0.59) HTR2AMPOHTR1DTRPM8TRPV1
SCHEMBL2404720 0.84 HTR6 (0.71) HTR2AMPOHTR1DTRPM8TRPV1
Hydrochloric Acid SCHEMBL29765862 0.84 HTR2A (1.00) HTR2AMPOHTR1DSLC6A4HTR1A
SCHEMBL24694055 0.83 HTR2A (0.81) HTR2AMPOHTR1DSLC6A4HTR1A
SCHEMBL27817742 0.83 MPO (0.57) HTR2AMPOHTR1DTRPM8TRPV1

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 HTR2A 46/4885MPO 3915/4885HTR1D 71/4885

“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.