SCHEMBL774426

SCHEMBL774426

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)N[C@](C)(c3csc(C)n3)c3c[nH]c4ccc(OCCO)cc34)cc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.34
TRPV1 Q8NER1 1/20 0.34
KCNH2 Q12809 7/20 0.33
SCN9A Q15858 4/20 0.33
CYP3A4 P08684 3/20 0.33
SCN5A Q14524 2/20 0.33
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL774427 0.84 CYP3A4 (0.39) NR1I2TRPV1KCNH2SCN9ACYP3A4
SCHEMBL771675 0.77 CYP3A4 (0.38) NR1I2TRPV1KCNH2CYP3A4SCN5A
SCHEMBL12429115 0.77 CYP3A4 (0.38) NR1I2TRPV1KCNH2SCN9ACYP3A4
SCHEMBL792968 0.76 NR1I2 (0.47) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL2200713 0.76 CYP3A4 (0.44) NR1I2TRPV1KCNH2CYP3A4SCN5A
SCHEMBL2201045 0.75 CYP3A4 (0.37) NR1I2TRPV1KCNH2CYP3A4SCN5A
SCHEMBL771553 0.74 NR1I2 (0.44) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL772061 0.74 NR1I2 (0.44) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL774602 0.74 NR1I2 (0.38) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL771840 0.74 TRPV1 (0.41) NR1I2TRPV1KCNH2SCN9ACYP3A4

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 1 patent. 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

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 NR1I2 1189/4885TRPV1 4075/4885KCNH2 3813/4885

“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.