SCHEMBL2404853

SCHEMBL2404853

COc1ccc(-c2cccnc2C(=O)N(C)CCc2c[nH]c3ccc(F)cc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.49
CCND1 P24385 9/20 0.49
TDO2 P48775 2/20 0.47
MPO P05164 3/20 0.46
HTR2A P28223 2/20 0.44
CDK2 P24941 2/20 0.44
HCRTR2 O43614 1/20 0.43
SLC6A4 P31645 3/20 0.43
HTR1A P08908 3/20 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
SCHEMBL2405137 0.90 TDO2 (0.46) CDK4CCND1TDO2MPOHTR2A
SCHEMBL2403897 0.90 HTR2A (0.45) TDO2MPOHTR2AHCRTR2SLC6A4
SCHEMBL2406453 0.90 TDO2 (0.47) CDK4CCND1TDO2MPOHTR2A
SCHEMBL2405046 0.90 TDO2 (0.45) CDK4CCND1TDO2MPOHTR2A
SCHEMBL2404622 0.88 TDO2 (0.44) CDK4CCND1TDO2MPOHTR2A
SCHEMBL2410033 0.88 TDO2 (0.44) CDK4CCND1TDO2MPOHTR2A
SCHEMBL2404856 0.88 TDO2 (0.44) CDK4CCND1TDO2MPOHTR2A
SCHEMBL2406526 0.88 TDO2 (0.44) CDK4CCND1TDO2MPOHTR2A
SCHEMBL2405442 0.87 TDO2 (0.42) TDO2MPOHTR2AHCRTR2SLC6A4
SCHEMBL2403964 0.84 HCRTR2 (0.47) CDK4CCND1TDO2MPOHTR2A

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 3178/4885TDO2 3567/4885

“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.