SCHEMBL2406453

SCHEMBL2406453

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.47
MPO P05164 6/20 0.42
HCRTR2 O43614 1/20 0.41
SLC6A4 P31645 6/20 0.41
HTR1A P08908 4/20 0.41
HTR2A P28223 4/20 0.40
SPR P35270 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL2404853 0.90 CDK4 (0.49) TDO2MPOHCRTR2SLC6A4HTR1A
SCHEMBL2405137 0.88 TDO2 (0.46) TDO2MPOHCRTR2SLC6A4HTR1A
SCHEMBL2404856 0.88 TDO2 (0.44) TDO2MPOHCRTR2SLC6A4HTR1A
SCHEMBL2403897 0.87 HTR2A (0.45) TDO2MPOHCRTR2SLC6A4HTR1A
SCHEMBL2405046 0.87 TDO2 (0.45) TDO2MPOHCRTR2SLC6A4HTR1A
SCHEMBL2404622 0.86 TDO2 (0.44) TDO2MPOHCRTR2SLC6A4HTR1A
SCHEMBL2406526 0.86 TDO2 (0.44) TDO2MPOHCRTR2SLC6A4HTR1A
SCHEMBL2405547 0.86 CYP1A2 (0.43) TDO2MPOSLC6A4HTR1AHTR2A
SCHEMBL2410033 0.86 TDO2 (0.44) TDO2MPOHCRTR2SLC6A4HTR1A
SCHEMBL2405442 0.85 TDO2 (0.42) TDO2MPOHCRTR2SLC6A4HTR1A

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 1 patent. 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 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 TDO2 3567/4885MPO 3915/4885HCRTR2 1/4885

“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.