SCHEMBL791914

SCHEMBL791914

COc1cccc(OCC2CCN(C)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.63
CHRNA3 P32297 1/20 0.63
GAA P10253 1/20 0.53
HRH3 Q9Y5N1 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
CXCR1 P25024 1/20 0.47
HTR1A P08908 1/20 0.47
SLC6A4 P31645 1/20 0.47
KDM1A O60341 1/20 0.47
RCOR1 Q9UKL0 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
SCHEMBL13798779 0.87 CHRNB4 (0.60) CHRNB4CHRNA3MAOB
SCHEMBL30889109 0.87 CHRNB4 (0.60) CHRNB4CHRNA3MAOB
SCHEMBL15672716 0.85 MAOA (0.52) CHRNB4CHRNA3HRH3MAOAMAOB
SCHEMBL2227823 0.84 TP53 (0.50) CHRNB4CHRNA3MAOAMAOBCARM1
Hydrochloric Acid SCHEMBL3255185 0.82 MAOA (0.50) CHRNB4CHRNA3MAOAMAOBCARM1
SCHEMBL14771954 0.82 KDM4E (0.55) MAOAMAOBCARM1PRMT6CXCR1
SCHEMBL10261333 0.82 CARM1 (0.66) HRH3CARM1PRMT6CXCR1
SCHEMBL791916 0.82 ALDH1A1 (0.54) CHRNB4CHRNA3
SCHEMBL791378 0.82 NPC1 (0.56) CHRNB4CHRNA3GAA
SCHEMBL13165233 0.81 GRM2 (0.47) CHRNB4CHRNA3MAOAMAOBCARM1

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 13 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-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 CHRNB4 4879/4885CHRNA3 4868/4885GAA 374/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI CHRNB4 4876/4885CHRNA3 4851/4885GAA 451/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CHRNB4 4876/4885CHRNA3 4851/4885GAA 451/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CHRNB4 4879/4885CHRNA3 4868/4885GAA 374/4885

“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.