SCHEMBL4580735

SCHEMBL4580735

CN(CCCN)CCCCCCN

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.94
DNM1 Q05193 9/20 0.47
TSHR P16473 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
LMNA P02545 1/20 0.47
BLM P54132 1/20 0.47
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL17428467 0.97 CHRM2 (1.00) CHRM2DNM1TSHRCA12CA1
SCHEMBL6755328 0.97 CHRM2 (1.00) CHRM2DNM1TSHRCA12CA1
SCHEMBL8355339 0.97 CHRM2 (0.88) CHRM2DNM1TSHRCA12CA1
SCHEMBL2400821 0.97 CHRM2 (0.88) CHRM2DNM1TSHRCA12CA1
Hydrochloric Acid SCHEMBL16165925 0.94 CHRM2 (0.83) CHRM2DNM1TSHRCA12CA1
SCHEMBL2399328 0.94 CHRM2 (0.94) CHRM2DNM1TSHRCA12CA1
SCHEMBL8736488 0.94 CHRM2 (0.82) CHRM2DNM1TSHRCA12CA1
SCHEMBL5603309 0.94 CHRM2 (0.94) CHRM2DNM1TSHRCA12CA1
SCHEMBL24770601 0.92 CHRM2 (0.89) CHRM2DNM1TSHRCA12CA1
SCHEMBL24196749 0.92 CHRM2 (0.89) CHRM2DNM1TSHRCA12CA1

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 CHRM2 4073/4885DNM1 1161/4885TSHR 4307/4885

“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.