SCHEMBL3636428

SCHEMBL3636428

COc1ccc([C@@H](CCCC(N)=O)N2Cc3c(cccc3N3CCN(C4CCC4)CC3)C2=O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.68
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
TNF P01375 1/20 0.42

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
SCHEMBL3634257 0.97 UTS2R (0.68) UTS2RPDE4APDE4BPDE4CPDE4D
SCHEMBL3636429 0.89 UTS2R (0.68) UTS2R
SCHEMBL14949841 0.89 UTS2R (0.68) UTS2R
SCHEMBL2579621 0.89 UTS2R (0.67) UTS2RPDE4APDE4BPDE4CPDE4D
SCHEMBL2345909 0.87 UTS2R (0.72) UTS2R
SCHEMBL2579247 0.87 UTS2R (0.68) UTS2R
SCHEMBL3636424 0.87 UTS2R (0.66) UTS2R
SCHEMBL3630715 0.86 UTS2R (0.66) UTS2RPDE4APDE4BPDE4CPDE4D
SCHEMBL3634258 0.86 UTS2R (0.68) UTS2R
SCHEMBL2341376 0.85 UTS2R (0.66) UTS2R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161994-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-17 EP claimed
US-20080318973-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-25 US claimed
WO-2008153902-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-18 WO claimed
US-8445514-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-21 US disclosed
EP-2161994-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-17 EP disclosed
US-20080318973-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-25 US disclosed
WO-2008153902-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-18 WO 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-20080318973-A1 Urotensin II receptor antagonists UTS2R, BDKRB2, AGTR2 UTS2R 1/4885PDE4A 1802/4885PDE4B 1434/4885

“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.