SCHEMBL2404552

SCHEMBL2404552

NC(=O)CN(CCc1c[nH]c2ccc(F)cc12)C(=O)c1nccnc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.49
SLC6A4 P31645 4/20 0.48
NOTUM Q6P988 2/20 0.45
ICMT O60725 1/20 0.43
TACR2 P21452 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 5/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
HTR1A P08908 3/20 0.40
KMT2A Q03164 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL2405420 0.89 MPO (0.51) MPOSLC6A4NOTUMTACR2TSHR
SCHEMBL2404159 0.89 TACR2 (0.45) MPOSLC6A4NOTUMTACR2TSHR
SCHEMBL2404802 0.89 MPO (0.44) MPOSLC6A4NOTUMTACR2HTR2A
SCHEMBL2407917 0.89 HTR2A (0.50) MPOSLC6A4NOTUMTACR2TSHR
SCHEMBL2404850 0.88 MPO (0.46) MPOSLC6A4NOTUMICMTHTR2A
SCHEMBL2407903 0.88 MPO (0.43) MPOSLC6A4NOTUMTACR2TSHR
SCHEMBL2406520 0.88 MPO (0.43) MPOSLC6A4NOTUMTACR2TSHR
SCHEMBL2405988 0.86 HTR1A (0.43) MPOSLC6A4TACR2TSHRHTR2A
SCHEMBL2404166 0.85 CDK4 (0.54) MPOSLC6A4NOTUMHTR2AMTNR1A
SCHEMBL27817683 0.85 MPO (0.44) MPOSLC6A4NOTUMTACR2TSHR

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 MPO 3915/4885SLC6A4 781/4885NOTUM 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.