SCHEMBL724416

SCHEMBL724416

[CH2]COC1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
HRH3 Q9Y5N1 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33

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
SCHEMBL3653234 0.86
SCHEMBL12908404 0.78 NCF1 (0.41) NCF1HRH3CHRM1CHRM2HTR1A
SCHEMBL1158572 0.78 NCF1 (0.41) NCF1HRH3CHRM1CHRM2HTR1A
SCHEMBL771913 0.77
SCHEMBL772170 0.77 HRH3 (0.41) HRH3NPC1CHRM3SMN1; SMN2
SCHEMBL14076285 0.76 NCF1 (0.50) NCF1HRH3CHRM1CHRM2HTR1A
SCHEMBL14476814 0.76 NCF1 (0.39) NCF1HRH3CHRM1CHRM2HTR1A
SCHEMBL25645560 0.76 NCF1 (0.39) NCF1HRH3CHRM1CHRM2HTR1A
SCHEMBL130689 0.76
SCHEMBL10694762 0.76

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751084-B1 PYRIMIDINE CARBOXAMIDE DERIVATIVES EUDIS BIOTECH LLC (CN) 2016-09-21 EP disclosed
US-9249107-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2016-02-02 US disclosed
US-20150087665-A1 Pyrimidine carboxamide derivatives Maehr, Hubert (US) 2015-03-26 US disclosed
EP-2834223-A2 (1,2,3-TRIAZOLYL) SULFONYL DERIVATIVES Apac Pharmaceutical LLC. (US) 2015-02-11 EP disclosed
US-8853248-B2 (1,2,3-triazolyl)sulfonyl derivatives MAEHR HUBERT (US) 2014-10-07 US disclosed
EP-2751084-A1 PYRIMIDINE CARBOXAMIDE DERIVATIVES Apac Pharmaceutical LLC. (US) 2014-07-09 EP disclosed
US-8580805-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2013-11-12 US disclosed
US-20130267568-A1 (1,2,3-Triazolyl)sulfonyl Derivatives MAEHR HUBERT (US) 2013-10-10 US disclosed
WO-2013151597-A2 (1,2,3-TRIAZOLYL) SULFONYL DERIVATIVES APAC PHARMACEUTICAL LLC. (US) 2013-10-10 WO disclosed
WO-2013032522-A1 PYRIMIDINE CARBOXAMIDE DERIVATIVES APAC PHARMACEUTICAL LLC. (US) 2013-03-07 WO 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-20120053346-A1 Pyrimidine Carboxamide Derivatives MAEHR HUBERT (US) 2012-03-01 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
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 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
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (6 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 NCF1 544/4885HRH3 4130/4885CHRM1 4876/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 NCF1 1154/4885HRH3 3341/4885CHRM1 4851/4885
US-20130267568-A1 (1,2,3-Triazolyl)sulfonyl Derivatives IL1B, IL1A, NOD1 NCF1 162/4885HRH3 2377/4885CHRM1 2725/4885
US-20120053346-A1 Pyrimidine Carboxamide Derivatives NOD1, IL1B, IRAK1 NCF1 95/4885HRH3 600/4885CHRM1 2280/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NCF1 544/4885HRH3 4130/4885CHRM1 4876/4885
US-20150087665-A1 Pyrimidine carboxamide derivatives NOD1, IL1B, IRAK1 NCF1 95/4885HRH3 600/4885CHRM1 2280/4885

“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.