SCHEMBL792002

SCHEMBL792002

COC[C@@H]1CCCN1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.41
DPP4 P27487 3/20 0.40
DPP8 Q6V1X1 3/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CNR2 P34972 1/20 0.38
ADORA2A P29274 4/20 0.38
RAB9A P51151 1/20 0.37
PLAT P00750 1/20 0.37

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
SCHEMBL19687314 0.89 TSHR (0.44) HDAC8HDAC6HDAC1POLBTSHR
SCHEMBL25218793 0.86 POLB (0.41) HDAC8HDAC6HDAC1POLBL3MBTL1
SCHEMBL24348072 0.86 RAB9A (0.41) HDAC8HDAC6HDAC1POLBL3MBTL1
SCHEMBL4023639 0.85 POLB (0.46) HDAC8HDAC6HDAC1POLBL3MBTL1
SCHEMBL14426621 0.84 POLB (0.44) HDAC8HDAC6HDAC1POLBL3MBTL1
SCHEMBL12482314 0.84 POLB (0.63) POLBL3MBTL1TSHRDPP4DPP8
SCHEMBL14294016 0.84 KMT2A (0.46) POLBL3MBTL1TSHRRAB9A
SCHEMBL11967766 0.84 POLB (0.44) HDAC8HDAC6HDAC1POLBL3MBTL1
SCHEMBL12409378 0.84 POLB (0.44) HDAC8HDAC6HDAC1POLBL3MBTL1
SCHEMBL3182268 0.84 POLB (0.44) HDAC8HDAC6HDAC1POLBL3MBTL1

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
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 HDAC8 380/4885HDAC6 82/4885HDAC1 182/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HDAC8 380/4885HDAC6 82/4885HDAC1 182/4885

“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.