SCHEMBL2408484

SCHEMBL2408484

COc1nc(C(=O)N(CCc2c[nH]c3ccc(F)cc23)CC2CC2)c(-c2cccc(C)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.43
SLC6A4 P31645 6/20 0.43
HCRTR2 O43614 10/20 0.42
HCRTR1 O43613 7/20 0.40
MPO P05164 2/20 0.38

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
SCHEMBL2403908 0.91 HCRTR2 (0.42) HTR1ASLC6A4HCRTR2MPO
SCHEMBL2408924 0.90 HTR1A (0.42) HTR1ASLC6A4HCRTR2MPO
SCHEMBL2406278 0.89 HCRTR2 (0.41) HTR1ASLC6A4HCRTR2MPO
SCHEMBL2405180 0.89 HCRTR2 (0.42) HTR1ASLC6A4HCRTR2HCRTR1MPO
SCHEMBL2404386 0.89 HTR1A (0.41) HTR1ASLC6A4HCRTR2MPO
SCHEMBL2406980 0.88 MPO (0.41) HTR1ASLC6A4HCRTR2MPO
SCHEMBL2406633 0.85 HTR1A (0.43) HTR1ASLC6A4MPO
SCHEMBL2403179 0.85 HTR1A (0.43) HTR1ASLC6A4HCRTR2HCRTR1MPO
SCHEMBL2410549 0.85 HCRTR1 (0.46) HTR1AHCRTR2HCRTR1
SCHEMBL2404244 0.84 HCRTR2 (0.48) HTR1AHCRTR2HCRTR1

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 56/4885SLC6A4 781/4885HCRTR2 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.