SCHEMBL791288

SCHEMBL791288

Cc1ccccc1CCCN1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 1/20 0.53
SIGMAR1 Q99720 4/20 0.51
HRH1 P35367 4/20 0.50
LTA4H P09960 1/20 0.50
HRH3 Q9Y5N1 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL7983264 0.98 CYP2D6 (0.57) CYP2D6CYP2C19ALDH1A1SIGMAR1HRH1
SCHEMBL791561 0.89 HRH3 (0.61) CYP2D6CYP2C19ALDH1A1SIGMAR1HRH3
SCHEMBL9254022 0.87 HRH3 (0.62) CYP2D6CYP2C19ALDH1A1SIGMAR1HRH3
SCHEMBL4373217 0.86 SIGMAR1 (0.56) ALDH1A1SIGMAR1
SCHEMBL18926549 0.85 LTA4H (0.59) ALDH1A1SIGMAR1HRH1LTA4HHRH3
SCHEMBL15308540 0.83 CYP2A13 (0.66) SIGMAR1DRD1DRD4DRD5
SCHEMBL11790830 0.83 LMNA (0.64) SIGMAR1DRD2DRD3
SCHEMBL11267638 0.81 CYP2D6 (0.66) CYP2D6CYP2C19ALDH1A1HRH1HRH3
SCHEMBL19043759 0.81 LTA4H (0.51) CYP2D6CYP2C19ALDH1A1SIGMAR1HRH1
SCHEMBL20124587 0.81 L3MBTL1 (0.55) CYP2D6CYP2C19ALDH1A1SIGMAR1HRH1

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 7 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-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-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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 CYP2D6 1478/4885CYP2C19 1316/4885ALDH1A1 750/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP2D6 1478/4885CYP2C19 1316/4885ALDH1A1 750/4885

“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.