SCHEMBL803514

SCHEMBL803514

COC[C@@H]1CCCN1c1ccc(N=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.45
FPR2 P25090 4/20 0.45
FFAR1 O14842 7/20 0.45
SYK P43405 1/20 0.43
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
PPARG P37231 1/20 0.39
ADRA1A P35348 2/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
NMT1 P30419 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
CRHR1 P34998 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
SCHEMBL12965349 0.84 DRD2 (0.45) FPR1FPR2FFAR1SYKROCK2
SCHEMBL12082229 0.82 FFAR1 (0.56) FPR1FPR2FFAR1SYKROCK2
SCHEMBL12082307 0.82 FFAR1 (0.56) FPR1FPR2FFAR1SYKROCK2
SCHEMBL2448887 0.81 FPR1 (0.47) FPR1FPR2FFAR1SYKROCK2
SCHEMBL2447116 0.81 FPR1 (0.47) FPR1FPR2FFAR1SYKROCK2
SCHEMBL12004750 0.81 FPR1 (0.47) FPR1FPR2FFAR1SYKROCK2
SCHEMBL30097125 0.80 FFAR1 (0.49) FPR1FPR2FFAR1PPARGDRD2
SCHEMBL791983 0.80 FFAR1 (0.49) FPR1FPR2FFAR1PPARGDRD2
SCHEMBL12006634 0.78 MAPT (0.46) FPR1FPR2FFAR1SYKPPARG
SCHEMBL791700 0.78 MAPT (0.46) FPR1FPR2FFAR1SYKPPARG

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 FPR1 3993/4885FPR2 4446/4885FFAR1 4509/4885

“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.