SCHEMBL19684856

SCHEMBL19684856

CCCCOc1cnc(C)c2c1CNCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRNB2 P17787 6/20 0.34
CHRNA2 Q15822 6/20 0.34
CHRNA3 P32297 4/20 0.34
CHRNA4 P43681 4/20 0.34
CHRNB4 P30926 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RAD52 P43351 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR7 Q9NYK1 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
PNMT P11086 1/20 0.32

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
SCHEMBL19679229 0.77 CHRM2 (0.49) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL19684580 0.73 PNMT (0.41) CHRM3PNMT
SCHEMBL19711568 0.70 PNMT (0.38) CHRM3RAD52KMT2APNMT
SCHEMBL19678858 0.68 PNMT (0.36) PNMT
SCHEMBL19684926 0.68 HRH3 (0.41) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL10654976 0.66 CHRM3 (0.82) CHRM3CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL10651499 0.65 CHRM3 (0.84) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL19684653 0.64 HRH3 (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL17664979 0.64 HTR2A (0.46) HRH3KMT2ATLR7
SCHEMBL2618741 0.63 CYP2C9 (0.39) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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 (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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP CHRM3 4771/4885CHRM2 4784/4885CHRM4 4854/4885

“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.