SCHEMBL2404358

SCHEMBL2404358

CCc1ccc(-c2sc(C)nc2C(=O)N(CCc2c[nH]c3ccc(F)cc23)CC2CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.42
MPO P05164 4/20 0.41
HTR2A P28223 4/20 0.41
SLC6A4 P31645 6/20 0.40
HCRTR1 O43613 4/20 0.40
HCRTR2 O43614 2/20 0.40
BCHE P06276 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
SCHEMBL2409978 0.94 HTR1A (0.44) HTR1AMPOHTR2ASLC6A4HCRTR1
SCHEMBL2406133 0.93 HTR1A (0.43) HTR1AMPOHTR2ASLC6A4HCRTR1
SCHEMBL2408123 0.92 HTR1A (0.44) HTR1AMPOHTR2ASLC6A4HCRTR1
SCHEMBL2407858 0.90 HTR1A (0.44) HTR1AMPOHTR2ASLC6A4HCRTR2
SCHEMBL2403381 0.90 HTR1A (0.46) HTR1AMPOHTR2ASLC6A4HCRTR1
SCHEMBL2406633 0.90 HTR1A (0.43) HTR1AMPOHTR2ASLC6A4BCHE
SCHEMBL2403477 0.89 HTR1A (0.42) HTR1AMPOHTR2ASLC6A4HCRTR1
SCHEMBL2403617 0.89 HTR1A (0.47) HTR1AMPOHTR2ASLC6A4
SCHEMBL2408743 0.89 HTR1A (0.42) HTR1AMPOHTR2ASLC6A4HCRTR1
SCHEMBL2406057 0.89 HTR1A (0.45) HTR1AMPOHTR2ASLC6A4HCRTR1

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 HTR1A 56/4885MPO 3915/4885HTR2A 46/4885

“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.