SCHEMBL12682993

SCHEMBL12682993

CC(C)(C)OC(=O)N1CCC[C@H]1c1cnc(-c2ccc3c(c2)C(C)(C)c2ccc(C(=O)CBr)cc2O3)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.36
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ TSHR P16473 6/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ GPR119 Q8TDV5 2/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL12683161 0.89 KMT2A (0.38) CHEK2HCRTR1HCRTR2TSHRALDH1A1
SCHEMBL12683007 0.80 PRCP (0.43) GPR119
SCHEMBL12682992 0.78 HCRTR1 (0.39) HCRTR1HCRTR2TSHRALDH1A1NPSR1
SCHEMBL12683244 0.78 HCRTR1 (0.37) CHEK2HCRTR1HCRTR2GPR119
SCHEMBL15372082 0.78 PRCP (0.45) HCRTR1HCRTR2
SCHEMBL2707857 0.75 HCRTR1 (0.48) CHEK2HCRTR1HCRTR2TSHRALDH1A1
SCHEMBL10170893 0.74 HPGDS (0.45) HCRTR1HCRTR2
SCHEMBL12683162 0.74 HCRTR1 (0.37) HCRTR1HCRTR2TSHRALDH1A1NPSR1
SCHEMBL15372096 0.74 HCRTR1 (0.37) HCRTR1HCRTR2TSHRALDH1A1NPSR1
SCHEMBL15373561 0.74 HDAC1 (0.36) —

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-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 — — US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 — — US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 — — US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 — — US disclosed
WO-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 — — 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-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC CHEK2 2296/4885HCRTR1 4261/4885HCRTR2 4274/4885

“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.

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