SCHEMBL16790639

SCHEMBL16790639

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]c5c4)c(-c4ccccc4)c3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.52
HCRTR2 O43614 16/20 0.52
USP30 Q70CQ3 1/20 0.51
PRCP P42785 2/20 0.46

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
SCHEMBL28590668 0.93 USP30 (0.58) HCRTR1HCRTR2USP30PRCP
SCHEMBL28590669 0.93 USP30 (0.58) HCRTR1HCRTR2USP30PRCP
SCHEMBL2707183 0.90 HCRTR1 (0.51) HCRTR1HCRTR2USP30
SCHEMBL14985689 0.90 HCRTR1 (0.51) HCRTR1HCRTR2USP30
SCHEMBL204876 0.90 HCRTR1 (0.51) HCRTR1HCRTR2USP30
SCHEMBL2706118 0.89 USP30 (0.52) HCRTR1HCRTR2USP30
SCHEMBL13070464 0.89 USP30 (0.52) HCRTR1HCRTR2USP30
SCHEMBL18462768 0.89 USP30 (0.52) HCRTR1HCRTR2USP30
SCHEMBL2707200 0.89 USP30 (0.52) HCRTR1HCRTR2USP30
SCHEMBL9881861 0.87 HCRTR1 (0.54) HCRTR1HCRTR2

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-20150232455-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-08-20 US disclosed
US-20150158909-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-06-11 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 (2 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-20150232455-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HCRTR1 3834/4885HCRTR2 4467/4885USP30 1431/4885
US-20150158909-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HCRTR1 3834/4885HCRTR2 4467/4885USP30 1431/4885

“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.