SCHEMBL4582241

SCHEMBL4582241

NCCCCCCCCCC(N)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.50
CXCR4 P61073 10/20 0.42
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
TSHR P16473 1/20 0.39
KCNA5 P22460 2/20 0.38
CYP2D6 P10635 1/20 0.38
KCNE1 P15382 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CHRM2 P08172 2/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37

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
SCHEMBL5024095 0.98 HRH1 (0.47) HRH1CXCR4SLC6A2SLC6A4SLC6A3
SCHEMBL28685512 0.93 HRH1 (0.44) HRH1CXCR4SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5845025 0.91 HRH1 (0.43) HRH1CXCR4SLC6A2SLC6A4SLC6A3
SCHEMBL3224199 0.87 HRH1 (0.45) HRH1SLC6A2SLC6A4SLC6A3TSHR
Hydrochloric Acid SCHEMBL28631671 0.85 HRH1 (0.44) HRH1SLC6A2SLC6A4SLC6A3TSHR
Hydrochloric Acid SCHEMBL5846124 0.85 HRH1 (0.44) HRH1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL23114268 0.85 KCNA5 (0.47) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL10693275 0.85 KCNA5 (0.47) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL27873703 0.85 KCNA5 (0.47) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL26487309 0.85 KCNA5 (0.47) SLC6A2SLC6A4SLC6A3TSHRKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371852-B2 Alkyl-linked nucleotide compositions SERENEX, INC. (US) 2008-05-13 US disclosed
EP-1585754-A2 ALKYL-LINKED NUCLEOTIDE COMPOSITIONS Serenex, Inc. (US) 2005-10-19 EP disclosed
US-20040215009-A1 Alkyl-linked nucleotide compositions SERENEX, INC. (US) 2004-10-28 US disclosed
WO-2004065566-A2 ALKYL-LINKED NUCLEOTIDE COMPOSITIONS SERENEX, INC. (US) 2004-08-05 WO 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-20040215009-A1 Alkyl-linked nucleotide compositions NT5C3B, NUDT1, NT5C2 HRH1 3847/4885CXCR4 501/4885SLC6A2 420/4885

“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.