SCHEMBL2405545

SCHEMBL2405545

COc1ccc(-c2sc(C)nc2C(=O)N(CCc2c[nH]c3ccc(F)cc23)CC(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.44
TDO2 P48775 1/20 0.41
MPO P05164 3/20 0.39
TRPV1 Q8NER1 1/20 0.39
HCRTR1 O43613 4/20 0.39
HTR1A P08908 5/20 0.38
SPR P35270 1/20 0.38
HTR2A P28223 2/20 0.38
SLC6A4 P31645 3/20 0.37
GPR84 Q9NQS5 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37

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
SCHEMBL2405114 0.92 HCRTR2 (0.47) HCRTR2TDO2MPOHCRTR1HTR1A
SCHEMBL2404202 0.91 HCRTR2 (0.45) HCRTR2TDO2MPOHCRTR1HTR1A
SCHEMBL2407325 0.91 HCRTR2 (0.45) HCRTR2TDO2MPOHCRTR1HTR1A
SCHEMBL2408092 0.90 MPO (0.46) HCRTR2TDO2MPOHCRTR1HTR1A
SCHEMBL2404946 0.90 HCRTR2 (0.46) HCRTR2TDO2MPOHCRTR1HTR1A
SCHEMBL2407816 0.90 HCRTR2 (0.44) HCRTR2TDO2MPOHCRTR1HTR1A
SCHEMBL2407842 0.90 HCRTR2 (0.44) HCRTR2TDO2MPOHCRTR1HTR1A
SCHEMBL2406285 0.89 HCRTR2 (0.44) HCRTR2TDO2MPOHCRTR1HTR1A
SCHEMBL2403964 0.88 HCRTR2 (0.47) HCRTR2TDO2MPOHTR1ASPR
SCHEMBL2410004 0.88 HCRTR2 (0.45) HCRTR2TDO2MPOHCRTR1HTR1A

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 HCRTR2 1/4885TDO2 3567/4885MPO 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.