SCHEMBL1974827

SCHEMBL1974827

CCN(CCc1c[nH]c2ccccc12)C(=O)c1nccnc1-c1ccc(C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.49
CDK4 P11802 11/20 0.47
CCND1 P24385 11/20 0.47
CDK2 P24941 3/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 1/20 0.44
HTR6 P50406 1/20 0.44
LMNA P02545 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
SNCA P37840 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL1971394 0.92 TACR2 (0.47) TACR2CDK4CCND1CDK2ALDH1A1
SCHEMBL1970781 0.90 TACR2 (0.47) TACR2CDK4CCND1CDK2MEN1
SCHEMBL1970941 0.89 CDK4 (0.53) TACR2CDK4CCND1CDK2ALDH1A1
SCHEMBL1967482 0.89 TACR2 (0.48) TACR2CDK4CCND1CDK2MEN1
SCHEMBL1972943 0.89 TACR2 (0.54) TACR2CDK4CCND1CDK2ALDH1A1
SCHEMBL2404777 0.89 MPO (0.48) CDK4CCND1HTR2A
SCHEMBL1974149 0.87 CDK4 (0.56) TACR2CDK4CCND1CDK2ALDH1A1
SCHEMBL1973175 0.85 CDK4 (0.55) TACR2CDK4CCND1CDK2ALDH1A1
SCHEMBL1969304 0.85 TACR2 (0.47) TACR2CDK4CCND1CDK2ALDH1A1
SCHEMBL1969851 0.83 CDK4 (0.45) CDK4CCND1CDK2ALDH1A1MEN1

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 6 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
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO 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
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO 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.