SCHEMBL804477

SCHEMBL804477

COOCc1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c(OCCN2CCCCC2)cccc1-3

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.36
SLC6A4 P31645 1/20 0.36
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1D P28221 4/20 0.34
HTR1B P28222 4/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
LTA4H P09960 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 2/20 0.33
HTR2C P28335 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TNF P01375 1/20 0.32

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
SCHEMBL804337 0.91 PRKCA (0.32)
SCHEMBL792669 0.87 SMN1; SMN2 (0.42) HTR1ASLC6A4KDM4ESMN1; SMN2HTR1D
SCHEMBL803765 0.86 PRKCA (0.35) HRH3
SCHEMBL803803 0.86 SMN1; SMN2 (0.36) SMN1; SMN2POLBMEN1KMT2A
SCHEMBL772644 0.84 MEN1 (0.43) KDM4ESMN1; SMN2HTR2AMEN1GAA
SCHEMBL12510208 0.84 PRKCA (0.34)
SCHEMBL803702 0.84 PRKCA (0.36)
SCHEMBL13285995 0.84 PRKCA (0.40) HTR1ASLC6A4KDM4ESMN1; SMN2HTR2A
SCHEMBL804702 0.84 PRKCA (0.34)
SCHEMBL10283485 0.83 PRKCA (0.46) HTR1ASLC6A4KDM4ESMN1; SMN2POLB

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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP 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 HTR1A 4866/4885SLC6A4 4166/4885KDM4E 2725/4885

“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.