SCHEMBL803834

SCHEMBL803834

COOCc1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c(NCC(=O)N2CCCCC2)cccc1-3

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
NR1I2 O75469 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
ACKR3 P25106 1/20 0.30
GAA P10253 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
SCHEMBL773045 0.87 ALDH1A1 (0.42) SCN9APRKCAMMP12NR1I2CHRM2
SCHEMBL803986 0.87 PRKCA (0.36) SCN9APRKCAMMP12NR1I2
SCHEMBL803803 0.86 SMN1; SMN2 (0.36) PRKCAMMP12ALDH1A1
SCHEMBL14572902 0.85 PRKCA (0.35) SCN9APRKCAMMP12NR1I2CHRM2
SCHEMBL804036 0.84 PRKCA (0.36) SCN9APRKCAMMP12NR1I2
SCHEMBL803702 0.83 PRKCA (0.36) SCN9APRKCAMMP12NR1I2
SCHEMBL12510208 0.81 PRKCA (0.34) SCN9APRKCAMMP12NR1I2
SCHEMBL10283558 0.80 PRKCA (0.34) SCN9APRKCAMMP12NR1I2ALDH1A1
SCHEMBL803765 0.79 PRKCA (0.35) SCN9APRKCAMMP12NR1I2
SCHEMBL803769 0.78 TNIK (0.35) PRKCAMMP12NR1I2ALDH1A1

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 2 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

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.