SCHEMBL2408092

SCHEMBL2408092

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.46
HCRTR2 O43614 3/20 0.45
SLC6A4 P31645 3/20 0.43
HTR1D P28221 3/20 0.41
HTR1B P28222 2/20 0.41
KMT2A Q03164 1/20 0.41
TDO2 P48775 2/20 0.41
HCRTR1 O43613 2/20 0.41
HTR2A P28223 3/20 0.40
HTR1A P08908 5/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39
HTR1F P30939 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 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
SCHEMBL2405114 0.94 HCRTR2 (0.47) MPOHCRTR2SLC6A4TDO2HCRTR1
SCHEMBL2407325 0.93 HCRTR2 (0.45) MPOHCRTR2SLC6A4TDO2HCRTR1
SCHEMBL2404202 0.93 HCRTR2 (0.45) MPOHCRTR2SLC6A4TDO2HCRTR1
SCHEMBL2406285 0.91 HCRTR2 (0.44) MPOHCRTR2SLC6A4KMT2ATDO2
SCHEMBL2403964 0.91 HCRTR2 (0.47) MPOHCRTR2SLC6A4KMT2ATDO2
SCHEMBL2405545 0.90 HCRTR2 (0.44) MPOHCRTR2SLC6A4HTR1DHTR1B
SCHEMBL2407842 0.90 HCRTR2 (0.44) MPOHCRTR2SLC6A4TDO2HCRTR1
SCHEMBL2407816 0.90 HCRTR2 (0.44) MPOHCRTR2SLC6A4TDO2HCRTR1
SCHEMBL2404946 0.90 HCRTR2 (0.46) MPOHCRTR2SLC6A4TDO2HCRTR1
SCHEMBL2410004 0.89 HCRTR2 (0.45) MPOHCRTR2SLC6A4TDO2HCRTR1

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 MPO 3915/4885HCRTR2 1/4885SLC6A4 781/4885

“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.