SCHEMBL791860

SCHEMBL791860

CN1CCCC(OCc2ccc(Cl)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
CHRM3 P20309 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.54
CARM1 Q86X55 1/20 0.54
PRMT6 Q96LA8 1/20 0.54
LSS P48449 1/20 0.53
DRD4 P21917 4/20 0.51
TMEM97 Q5BJF2 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
POLB P06746 1/20 0.45
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL14047773 0.85 CHRM2 (0.71) CHRM2CHRM1CHRM3CARM1PRMT6
SCHEMBL11223806 0.84 CARM1 (0.55) CHRM2CHRM1CHRM3CARM1PRMT6
SCHEMBL792157 0.81 CARM1 (0.68) CARM1PRMT6LSSTMEM97SIGMAR1
SCHEMBL27311332 0.81 SIGMAR1 (0.54) CHRM2CHRM1CHRM3DRD4TMEM97
SCHEMBL18616158 0.79 CARM1 (0.55) CARM1PRMT6DRD4SIGMAR1POLB
SCHEMBL16839479 0.77 CARM1 (0.54) CARM1PRMT6DRD4POLB
SCHEMBL17339935 0.76 CARM1 (0.60) CHRM2CHRM1CHRM3CARM1PRMT6
SCHEMBL21604538 0.75 CHRM2 (0.59) CHRM2CHRM1CHRM3DRD4TMEM97
SCHEMBL20281476 0.75 CHRM2 (0.59) CHRM2CHRM1CHRM3DRD4TMEM97
SCHEMBL21216508 0.75 LSS (0.55) L3MBTL1CARM1PRMT6LSSSIGMAR1

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 12 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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 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-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 CHRM2 4885/4885CHRM1 4876/4885CHRM3 4881/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI CHRM2 4885/4885CHRM1 4878/4885CHRM3 4880/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CHRM2 4885/4885CHRM1 4878/4885CHRM3 4880/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CHRM2 4885/4885CHRM1 4876/4885CHRM3 4881/4885

“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.