SCHEMBL791700

SCHEMBL791700

COC[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
PPARG P37231 1/20 0.44
CASP3 P42574 2/20 0.44
FPR1 P21462 1/20 0.44
FPR2 P25090 1/20 0.44
FFAR1 O14842 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
SIRT6 Q8N6T7 1/20 0.42
SYK P43405 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12006635 1.00 MAPT (0.46) MAPTCHRNB4CHRNA3PPARGCASP3
SCHEMBL12006634 1.00 MAPT (0.46) MAPTCHRNB4CHRNA3PPARGCASP3
Methoxymethane SCHEMBL5822675 0.85 MAPT (0.48) MAPTCHRNB4CHRNA3PPARGFFAR1
SCHEMBL12802791 0.85 CHRNB4 (0.56) MAPTCHRNB4CHRNA3MAPK1LMNA
SCHEMBL13292851 0.85 KMT2A (0.50) MAPTCHRNB4CHRNA3HRH3ALDH1A1
SCHEMBL3125630 0.82 FFAR1 (0.46) MAPTCHRNB4CHRNA3PPARGFFAR1
SCHEMBL15828757 0.82 MAPT (0.49) MAPTHRH3ALDH1A1MAPK1SIRT6
SCHEMBL6095682 0.82 MAPT (0.47) MAPTPPARGFFAR1HRH3ALDH1A1
SCHEMBL223024 0.82 MAPT (0.47) MAPTPPARGFFAR1HRH3ALDH1A1
SCHEMBL1092846 0.82 MAPT (0.47) MAPTPPARGFFAR1HRH3ALDH1A1

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-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
JP-2006018113-A ORGANIC PHOTOREFRACTIVE MATERIAL AND OPTICAL RECORDING MATERIAL USING SAME NITTO DENKO CORP 2006-01-19 JP disclosed
JP-2006018112-A ORGANIC PHOTOREFRACTIVE MATERIAL NITTO DENKO CORP 2006-01-19 JP 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 MAPT 3389/4885CHRNB4 4879/4885CHRNA3 4868/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI MAPT 4033/4885CHRNB4 4876/4885CHRNA3 4851/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI MAPT 4033/4885CHRNB4 4876/4885CHRNA3 4851/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MAPT 3389/4885CHRNB4 4879/4885CHRNA3 4868/4885

“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.