SCHEMBL5982826

SCHEMBL5982826

CN(C)CCCCn1c[c]nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
DNM1 Q05193 3/20 0.32
SLC22A1 O15245 1/20 0.31
KDM1A O60341 1/20 0.31
PRNP P04156 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADRB2 P07550 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL5982818 0.94 CYP2D6 (0.35) TSHRALDH1A1SLC22A1KDM1APRNP
SCHEMBL5983206 0.83 SLC6A4 (0.36) HTR1ASLC6A2SLC6A4HRH1SIGMAR1
SCHEMBL5983050 0.80 TBXAS1 (0.33)
SCHEMBL5983450 0.80
SCHEMBL5982929 0.80 TBXAS1 (0.46) TSHRALDH1A1TP53HIF1AKDM4E
SCHEMBL5982718 0.78 TBXAS1 (0.48) TSHRALDH1A1TP53HIF1AKDM4E
SCHEMBL5075579 0.78 TBXAS1 (0.48) TSHRALDH1A1TP53HIF1AKDM4E
SCHEMBL5982105 0.78
SCHEMBL5982238 0.77 HRH4 (0.31) ALDH1A1SLC6A2SLC6A4HRH1SIGMAR1
SCHEMBL5982469 0.75 FAAH (0.39) ALDH1A1NPSR1

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
EP-1634888-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2006-03-15 EP disclosed
EP-1600452-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
EP-1600451-A2 Synthesis of 2'-deoxy-l-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
US-20050090660-A1 2'-deoxy-L-nucleosides PHARMASSET, INC. 2005-04-28 US disclosed
EP-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0552765-B1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation THOMAE GMBH DR K (DE) 1996-08-14 EP disclosed
EP-0552765-A1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-07-28 EP 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 (1 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-20050090660-A1 2'-deoxy-L-nucleosides CCNH, ADAR, NSUN2 TSHR 1043/4885ALDH1A1 4093/4885DNM1 3681/4885

“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.