SCHEMBL2407903

SCHEMBL2407903

O=C(c1nccnc1-c1ccccc1)N(CCc1c[nH]c2ccc(F)cc12)CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.43
TACR2 P21452 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A4 P31645 5/20 0.41
HTR2A P28223 4/20 0.41
CDK4 P11802 3/20 0.40
CCND1 P24385 3/20 0.40
HTR1A P08908 2/20 0.40
NOTUM Q6P988 2/20 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
ADRA1A P35348 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
SCHEMBL1969885 0.90 TACR2 (0.51) TACR2HTR2ACDK4CCND1HTR1A
SCHEMBL1969807 0.89 CDK4 (0.52) TACR2CDK4CCND1
SCHEMBL2404159 0.89 TACR2 (0.45) MPOTACR2TSHRSLC6A4HTR2A
SCHEMBL2405420 0.89 MPO (0.51) MPOTACR2TSHRSLC6A4HTR2A
SCHEMBL2407917 0.89 HTR2A (0.50) MPOTACR2TSHRSLC6A4HTR2A
SCHEMBL2404998 0.88 MPO (0.43) MPOSLC6A4HTR2ACDK4CCND1
SCHEMBL2404552 0.88 MPO (0.49) MPOTACR2TSHRSLC6A4HTR2A
SCHEMBL2406520 0.88 MPO (0.43) MPOTACR2TSHRSLC6A4HTR2A
SCHEMBL2405988 0.86 HTR1A (0.43) MPOTACR2TSHRSLC6A4HTR2A
SCHEMBL2404166 0.85 CDK4 (0.54) MPOSLC6A4HTR2ACDK4CCND1

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 3915/4885TACR2 90/4885TSHR 289/4885

“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.