SCHEMBL19684585

SCHEMBL19684585

Cc1cncc2c1CNCC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
PNMT P11086 7/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CD44 P16070 1/20 0.36
MAOB P27338 1/20 0.36
PRCP P42785 1/20 0.35

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
SCHEMBL15248113 0.85 PNMT (0.38) CHRNB2CHRNA4PNMTCD44MAOB
SCHEMBL22923562 0.82 DRD2 (0.33)
SCHEMBL19711547 0.77 CHRNB2 (0.41) CHRNB2CHRNA4PNMTADRA2AADRA2B
SCHEMBL19667229 0.77 PNMT (0.44) CHRNB2CHRNA4PNMTADRA2AADRA2B
SCHEMBL30207837 0.77 PNMT (0.48) CHRNB2CHRNA4PNMTADRA2AADRA2B
SCHEMBL19678853 0.77 CHRNB2 (0.38) CHRNB2CHRNA4PNMTADRA2AADRA2B
SCHEMBL19667407 0.77 PNMT (0.48) CHRNB2CHRNA4PNMTADRA2AADRA2B
SCHEMBL25281145 0.74 PNMT (0.46) CHRNB2CHRNA4PNMTADRA2AADRA2B
SCHEMBL30183105 0.74 PNMT (0.46) CHRNB2CHRNA4PNMTADRA2AADRA2B
Hydrochloric Acid SCHEMBL31186539 0.73 PNMT (0.45) CHRNB2CHRNA4PNMTADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
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 CHRNB2 4426/4885CHRNA4 4526/4885PNMT 2003/4885

“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.