SCHEMBL2405501

SCHEMBL2405501

Cc1cccc(-c2sc(CNC(=O)OC(C)(C)C)nc2C(=O)N(CCc2c[nH]c3ccc(F)cc23)CC2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.38
HTR1A P08908 6/20 0.38
SLC6A4 P31645 5/20 0.38
HCRTR1 O43613 2/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
NOTUM Q6P988 1/20 0.34
SPR P35270 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
SNCA P37840 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
MPO P05164 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL2404386 0.87 HTR1A (0.41) HCRTR2HTR1ASLC6A4MPO
SCHEMBL2406980 0.86 MPO (0.41) HCRTR2HTR1ASLC6A4HTR1DHTR1B
SCHEMBL2403908 0.85 HCRTR2 (0.42) HCRTR2HTR1ASLC6A4MTNR1AMTNR1B
SCHEMBL2405180 0.84 HCRTR2 (0.42) HCRTR2HTR1ASLC6A4HCRTR1MTNR1A
SCHEMBL2408484 0.84 HTR1A (0.43) HCRTR2HTR1ASLC6A4HCRTR1MPO
SCHEMBL2408924 0.84 HTR1A (0.42) HCRTR2HTR1ASLC6A4MPO
SCHEMBL2406278 0.83 HCRTR2 (0.41) HCRTR2HTR1ASLC6A4MPO
SCHEMBL2406633 0.80 HTR1A (0.43) HTR1ASLC6A4MTNR1AMTNR1BNOTUM
SCHEMBL2410549 0.79 HCRTR1 (0.46) HCRTR2HTR1AHCRTR1
SCHEMBL2405199 0.79 HTR1A (0.42) HCRTR2HTR1ASLC6A4MTNR1AMTNR1B

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 HCRTR2 1/4885HTR1A 56/4885SLC6A4 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.