SCHEMBL1969885

SCHEMBL1969885

O=C(c1nccnc1-c1ccccc1)N(CCc1c[nH]c2ccccc12)CC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.51
CDK4 P11802 13/20 0.48
CCND1 P24385 13/20 0.48
CDK2 P24941 3/20 0.48
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOA P21397 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL1969807 0.94 CDK4 (0.52) TACR2CDK4CCND1CDK2HDAC1
SCHEMBL1966005 0.90 CDK4 (0.50) TACR2CDK4CCND1CDK2
SCHEMBL2407903 0.90 MPO (0.43) TACR2CDK4CCND1HTR1AADRA2A
SCHEMBL1970781 0.89 TACR2 (0.47) TACR2CDK4CCND1CDK2HDAC1
SCHEMBL1968745 0.88 CDK4 (0.52) TACR2CDK4CCND1CDK2
SCHEMBL1972943 0.87 TACR2 (0.54) TACR2CDK4CCND1CDK2HTR1A
SCHEMBL1972085 0.87 TACR2 (0.46) TACR2CDK4CCND1CDK2HTR1A
SCHEMBL1972531 0.87 TACR2 (0.46) TACR2CDK4CCND1CDK2HDAC1
SCHEMBL1968625 0.84 TACR2 (0.53) TACR2CDK4CCND1CDK2HTR1A
SCHEMBL1971783 0.82 CDK4 (0.46) TACR2CDK4CCND1CDK2HTR1A

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 4 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
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP 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 TACR2 90/4885CDK4 3031/4885CCND1 3178/4885

“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.