SCHEMBL791561

SCHEMBL791561

Cc1ccccc1CCN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.61
SIGMAR1 Q99720 2/20 0.56
SLC6A3 Q01959 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 2/20 0.49
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CHRNA7 P36544 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
SCHEMBL9254022 0.98 HRH3 (0.62) HRH3SIGMAR1SLC6A3TDP1CYP2D6
SCHEMBL791288 0.89 CYP2D6 (0.55) HRH3SIGMAR1TDP1CYP2D6CYP2C19
SCHEMBL7983264 0.87 CYP2D6 (0.57) HRH3SIGMAR1SLC6A3TDP1CYP2D6
SCHEMBL11865007 0.84 ACHE (0.49) HRH3SIGMAR1KCNH2
SCHEMBL12226961 0.82 CYP2A13 (0.70) SIGMAR1KCNH2KMT2A
SCHEMBL1164984 0.81 KMT2A (0.70) TDP1CYP2C19ALDH1A1KMT2ACHRNA7
SCHEMBL1882777 0.81 KMT2A (0.70) TDP1CYP2C19ALDH1A1KMT2ACHRNA7
SCHEMBL17828183 0.81 ACHE (0.71) HRH3SIGMAR1KCNH2CHRNA7
SCHEMBL13038080 0.79 HRH3 (0.50) HRH3SIGMAR1SLC6A3KCNH2
SCHEMBL329437 0.79 KMT2A (0.72) TDP1CYP2C19ALDH1A1KMT2ACHRNA7

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 HRH3 4130/4885SIGMAR1 3155/4885SLC6A3 2991/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HRH3 4130/4885SIGMAR1 3155/4885SLC6A3 2991/4885

“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.