SCHEMBL792376

SCHEMBL792376

O=COc1ccc2c(C3CCCCC3)c3n(c2c1)CCCc1ccccc1-3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.41
MTNR1B P49286 16/20 0.41
SCN9A Q15858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL792811 0.95 MTNR1A (0.40) MTNR1AMTNR1BSCN9APRKCAMMP12
SCHEMBL793024 0.86 PRKCA (0.34) MTNR1AMTNR1BSCN9AKDM4EALDH1A1
SCHEMBL792822 0.82 PRKCA (0.44) SCN9APRKCAMMP12
SCHEMBL792554 0.82 SCN9A (0.35) SCN9AALDH1A1TP53CYP1A2CYP3A4
SCHEMBL793064 0.82 SCN9A (0.33) SCN9APRKCAMMP12
SCHEMBL792726 0.81 MTNR1A (0.39) MTNR1AMTNR1BSCN9AKDM4EGMNN
SCHEMBL773872 0.80 PRKCA (0.53) MTNR1AMTNR1BSCN9APRKCAMMP12
SCHEMBL792720 0.80 PRKCA (0.45) SCN9APRKCAMMP12
SCHEMBL793115 0.80 PRKCA (0.34) SCN9APRKCAMMP12
SCHEMBL792547 0.79 SCN9A (0.35) SCN9ALMNAKMT2ANPSR1TDP1

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 MTNR1A 4311/4885MTNR1B 4142/4885SCN9A 3087/4885

“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.