SCHEMBL2406784

SCHEMBL2406784

COc1ccc(C(O)CN(CC2CC2)C(=O)c2nc(C3CC3)sc2-c2cccc(F)c2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.39
HCRTR2 O43614 13/20 0.39
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
TP53 P04637 1/20 0.35
S1PR1 P21453 2/20 0.34
CTSA P10619 2/20 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
SCHEMBL1967942 0.92 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL1969020 0.92 HCRTR1 (0.42) HCRTR1HCRTR2LPAR1LPAR5
SCHEMBL1973040 0.91 HCRTR1 (0.38) HCRTR1HCRTR2LPAR1LPAR5TP53
SCHEMBL1967810 0.90 AKR1C3 (0.39) HCRTR1HCRTR2CTSA
SCHEMBL1969724 0.90 HCRTR1 (0.42) HCRTR1HCRTR2LPAR1LPAR5TP53
SCHEMBL1967188 0.90 LPAR1 (0.36) HCRTR1HCRTR2LPAR1LPAR5TP53
SCHEMBL1968038 0.88 HCRTR1 (0.33) HCRTR1HCRTR2LPAR1LPAR5CTSA
SCHEMBL2406218 0.88 HCRTR1 (0.40) HCRTR1HCRTR2TP53
SCHEMBL1970381 0.85 CYP1A2 (0.40) HCRTR1HCRTR2LPAR1LPAR5TP53
SCHEMBL2407884 0.85 TP53 (0.42) HCRTR1HCRTR2LPAR1LPAR5TP53

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 HCRTR1 2/4885HCRTR2 1/4885LPAR1 186/4885

“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.