SCHEMBL1972371

SCHEMBL1972371

CN(C)c1nc(C(=O)N(CCc2c[nH]c3cc(F)ccc23)CC2CC2)c(-c2cccc(F)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.41
CCND1 P24385 6/20 0.41
HTR1A P08908 4/20 0.39
S1PR1 P21453 1/20 0.38
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SLC6A4 P31645 2/20 0.34
MPO P05164 1/20 0.34
HTR2A P28223 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL2406278 0.89 HCRTR2 (0.41) CDK4CCND1HTR1AHCRTR2SLC6A4
SCHEMBL1969025 0.89 S1PR1 (0.37) CDK4CCND1HTR1AS1PR1HCRTR1
SCHEMBL1970973 0.89 HTR2A (0.41) CDK4CCND1HTR1AS1PR1HCRTR1
SCHEMBL2404517 0.85 HTR1A (0.42) HTR1AHCRTR1HCRTR2SLC6A4MPO
SCHEMBL2406456 0.85 HTR1A (0.38) CDK4CCND1HTR1AACHEBCHE
SCHEMBL1970279 0.84 HCRTR2 (0.36) CDK4CCND1S1PR1HCRTR1HCRTR2
SCHEMBL1969144 0.84 CDK4 (0.37) CDK4CCND1HTR1AHCRTR1HCRTR2
SCHEMBL1972266 0.84 HCRTR1 (0.36) CDK4CCND1HTR1AS1PR1HCRTR1
SCHEMBL2410403 0.83 HTR1A (0.40) CDK4CCND1HTR1AACHEHCRTR1
SCHEMBL27817681 0.82 CDK4 (0.49) CDK4CCND1HTR1AGPR84HTR2A

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 CDK4 3031/4885CCND1 3178/4885HTR1A 56/4885

“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.