SCHEMBL792171

SCHEMBL792171

Cc1ccc2c(C3CCCCC3)c3n(c2c1)CCNc1ccccc1-3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
NR1I2 O75469 1/20 0.34
MEN1 O00255 2/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
MAOA P21397 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
TEAD1 P28347 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL804196 0.83 PRKCA (0.51) SCN9APRKCAMMP12NR1I2CYP3A4
SCHEMBL803831 0.82 SCN9A (0.34) SCN9APRKCAMMP12NR1I2
SCHEMBL4825561 0.82 SCN9A (0.45) SCN9APRKCAMMP12NR1I2CYP3A4
SCHEMBL792554 0.81 SCN9A (0.35) SCN9APRKCAMMP12NR1I2MEN1
SCHEMBL10283197 0.81 PRKCA (0.45) SCN9APRKCAMMP12NR1I2CYP1A2
SCHEMBL793019 0.81 MTNR1A (0.38) SCN9APRKCAMMP12NR1I2MEN1
SCHEMBL792582 0.81 CCNB2 (0.39) PRKCAMMP12NR1I2HSD17B10
SCHEMBL12429163 0.80 CA12 (0.38) SCN9ACYP1A2CYP2D6HSD17B10ALDH1A1
SCHEMBL792726 0.80 MTNR1A (0.39) SCN9APRKCAMMP12MEN1TP53
SCHEMBL14253483 0.79 SCN9A (0.55) SCN9APRKCAMMP12NR1I2KCNH2

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 SCN9A 3087/4885PRKCA 2404/4885MMP12 1013/4885

“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.