SCHEMBL792539

SCHEMBL792539

CCCN1CCc2c(C)c3ccc(C(C)=O)cc3n2CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KDM2B Q8NHM5 4/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
TERT O14746 1/20 0.36
MAPT P10636 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.35
DRD2 P14416 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL792588 0.91 ALDH1A1 (0.42) HTR2AHTR2CKDM2BMAPTSIGMAR1
SCHEMBL792496 0.80 GAA (0.41) HTR2AHTR2CMAPTSIGMAR1ALDH1A1
SCHEMBL792527 0.79 ALDH1A1 (0.41) HTR2AHTR2CMAPTSIGMAR1ALDH1A1
SCHEMBL792516 0.77 HTR7 (0.34) TERTMAPTALDH1A1
SCHEMBL792128 0.73 SIGMAR1 (0.32) SIGMAR1ALDH1A1
SCHEMBL14572851 0.71 HTR2A (0.37) HTR2AHTR2CMAPTALDH1A1
SCHEMBL792524 0.71 FABP4 (0.45) HTR2AHTR2CALDH1A1SMN1; SMN2KMT2A
SCHEMBL792525 0.69 GFER (0.41) HTR2AHTR2CMAPTALDH1A1
SCHEMBL11736036 0.66 DRD2 (0.60) MAPTSIGMAR1ALDH1A1KMT2ADRD2
SCHEMBL792576 0.65 MAPT (0.48) MAPTALDH1A1SMN1; SMN2KMT2AMEN1

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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 DRD3 4250/4885HTR2A 4863/4885HTR2C 4660/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 DRD3 4250/4885HTR2A 4863/4885HTR2C 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.