SCHEMBL791988

SCHEMBL791988

COCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.56
HTR2A P28223 4/20 0.56
SLC6A2 P23975 5/20 0.56
SMPD1 P17405 5/20 0.56
SLC22A1 O15245 4/20 0.56
CHRM2 P08172 4/20 0.56
CYP2D6 P10635 4/20 0.56
CHRM1 P11229 4/20 0.56
ADRA1A P35348 4/20 0.56
DRD3 P35462 4/20 0.56
CACNA1B Q00975 4/20 0.56
SLC6A3 Q01959 4/20 0.56
KCNH2 Q12809 4/20 0.56
CYP3A4 P08684 4/20 0.56
DRD2 P14416 3/20 0.56
ADRA2B P18089 3/20 0.56
ADRA2C P18825 3/20 0.56
CHRM3 P20309 3/20 0.56
HTR2C P28335 3/20 0.56
HRH1 P35367 3/20 0.56

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
SCHEMBL14140510 0.89 HTR2A (0.62) SLC6A4HTR2ASLC6A2SMPD1SLC22A1
SCHEMBL29397172 0.84 RAB9A (0.41) SLC6A4LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL23878783 0.84 RAB9A (0.41) SLC6A4LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL578249 0.80 HTR7 (0.54) DRD3DRD2HTR1ADRD4DRD5
SCHEMBL30404097 0.80 HTR7 (0.54) DRD3DRD2HTR1ADRD4DRD5
SCHEMBL23529746 0.79 ALDH1A1 (0.70) CHRM2CHRM1CHRM3LMNAMAPT
SCHEMBL22018905 0.79 HTR2A (0.61) SLC6A4HTR2ASLC6A2SMPD1SLC22A1
SCHEMBL13051501 0.78 HTR2A (0.78) SLC6A4HTR2ASLC6A2SMPD1SLC22A1
SCHEMBL8859029 0.77 SLC6A4 (0.56) SLC6A4HTR2ASLC6A2SMPD1SLC22A1
SCHEMBL13051498 0.77 SLC6A4 (0.90) SLC6A4HTR2ASLC6A2SMPD1SLC22A1

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 11 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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 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
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 (4 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 SLC6A4 4166/4885HTR2A 4863/4885SLC6A2 4036/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI SLC6A4 4098/4885HTR2A 4833/4885SLC6A2 4248/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI SLC6A4 4098/4885HTR2A 4833/4885SLC6A2 4248/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SLC6A4 4166/4885HTR2A 4863/4885SLC6A2 4036/4885

“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.