SCHEMBL771839

SCHEMBL771839

COC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cc(OC)ccc1-3

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
TACR1 P25103 1/20 0.40
GAA P10253 3/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KCNH2 Q12809 5/20 0.38
NR1I2 O75469 4/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 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
SCHEMBL3779164 0.95 GAA (0.45) TRPV1TACR1GAAPOLBKMT2A
SCHEMBL772487 0.88 LNPEP (0.43) KCNH2NR1I2CTSLCTSS
SCHEMBL2200713 0.86 CYP3A4 (0.44) TRPV1GAAPOLBKMT2ACTDSP1
SCHEMBL771794 0.86 NR1I2 (0.40) POLBKCNH2NR1I2
SCHEMBL771840 0.85 TRPV1 (0.41) TRPV1KCNH2NR1I2
SCHEMBL771822 0.84 KCNH2 (0.41) KCNH2NR1I2CTSLCTSS
SCHEMBL771931 0.84 KCNH2 (0.42) POLBKCNH2NR1I2
SCHEMBL771981 0.84 KCNH2 (0.40) KCNH2NR1I2
SCHEMBL771927 0.83 KCNH2 (0.41) KCNH2NR1I2CTSLCTSS
SCHEMBL771379 0.83 KCNH2 (0.42) POLBKCNH2NR1I2

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 3 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-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

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 TRPV1 4075/4885TACR1 1420/4885GAA 374/4885

“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.