SCHEMBL10283243

SCHEMBL10283243

COOCc1ccc2c(C3CCCCC3)c(-c3cc(F)ccc3N)[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.39
KCNH2 Q12809 6/20 0.39
HTR2C P28335 4/20 0.39
DRD2 P14416 3/20 0.39
CCNT1 O60563 3/20 0.34
CDK9 P50750 3/20 0.34
CCR3 P51677 5/20 0.33
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CARM1 Q86X55 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
SCHEMBL804035 0.87 HTR2A (0.34) HTR2AKCNH2HTR2CDRD2CARM1
SCHEMBL12510265 0.83 NPC1 (0.32) HTR2AKCNH2HTR2CDRD2
SCHEMBL13286269 0.82 HTR2A (0.35) HTR2AKCNH2HTR2CDRD2CCNT1
SCHEMBL804017 0.81 HTR2A (0.34) HTR2AKCNH2HTR2CDRD2CCNT1
SCHEMBL13285903 0.80 ESR1 (0.33) HTR2AKCNH2HTR2CDRD2CCR3
SCHEMBL13285988 0.80 TLR9 (0.37) HTR2AKCNH2HTR2CDRD2
SCHEMBL803802 0.79 BCHE (0.36) HTR2AKCNH2HTR2CDRD2
SCHEMBL771442 0.79 PARP1 (0.48) HTR2AKCNH2HTR2CDRD2CCNT1
SCHEMBL84762 0.78 MAOA (0.33) HTR2AKCNH2HTR2C
SCHEMBL804157 0.77 HTR2A (0.33) HTR2AKCNH2HTR2CDRD2CARM1

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 HTR2A 4863/4885KCNH2 3813/4885HTR2C 4660/4885

“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.