SCHEMBL2404166

SCHEMBL2404166

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.54
CCND1 P24385 11/20 0.54
MPO P05164 4/20 0.52
CDK2 P24941 3/20 0.52
HTR2A P28223 3/20 0.49
SLC6A4 P31645 2/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NOTUM Q6P988 1/20 0.45

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) CDK4CCND1MPOHTR2ASLC6A4
SCHEMBL2407917 0.88 HTR2A (0.50) CDK4CCND1MPOHTR2ASLC6A4
SCHEMBL2409993 0.88 MPO (0.47) CDK4CCND1MPOHTR2ASLC6A4
SCHEMBL2406277 0.88 CDK4 (0.49) CDK4CCND1MPOCDK2HTR2A
SCHEMBL2404159 0.87 TACR2 (0.45) CDK4CCND1MPOHTR2ASLC6A4
SCHEMBL2404552 0.85 MPO (0.49) CDK4CCND1MPOHTR2ASLC6A4
SCHEMBL2406520 0.85 MPO (0.43) CDK4CCND1MPOHTR2ASLC6A4
SCHEMBL2407903 0.85 MPO (0.43) CDK4CCND1MPOHTR2ASLC6A4
SCHEMBL27817683 0.85 MPO (0.44) CDK4CCND1MPOHTR2ASLC6A4
SCHEMBL2404802 0.85 MPO (0.44) CDK4CCND1MPOHTR2ASLC6A4

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 CDK4 3031/4885CCND1 3178/4885MPO 3915/4885

“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.