SCHEMBL629864

SCHEMBL629864

CC(C)(C)OC(=O)N1CCCC1c1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.44
HCRTR2 O43614 8/20 0.44
PRCP P42785 6/20 0.44
CHEK2 O96017 1/20 0.42
PTGES O14684 2/20 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
SCHEMBL10201545 0.92 CHEK2 (0.50) HCRTR1HCRTR2CHEK2
SCHEMBL13125074 0.90 UCHL1 (0.43) HCRTR1HCRTR2PRCPCHEK2PTGES
SCHEMBL13125056 0.90 UCHL1 (0.43) HCRTR1HCRTR2PRCPCHEK2PTGES
SCHEMBL12509692 0.89 HCRTR1 (0.46) HCRTR1HCRTR2PRCPCHEK2PTGES
SCHEMBL9605020 0.88 PRCP (0.47) HCRTR1HCRTR2PRCPCHEK2PTGES
SCHEMBL13255599 0.88 L3MBTL1 (0.50) HCRTR1HCRTR2PTGES
SCHEMBL9605028 0.88 PRCP (0.47) HCRTR1HCRTR2PRCPCHEK2PTGES
SCHEMBL1982288 0.87 HCRTR1 (0.49) HCRTR1HCRTR2PRCPPTGES
SCHEMBL1982286 0.87 HCRTR1 (0.49) HCRTR1HCRTR2PRCPPTGES
SCHEMBL1043580 0.87 PTGES (0.44) HCRTR1HCRTR2PRCPPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885PRCP 816/4885

“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.