SCHEMBL19684561

SCHEMBL19684561

Cc1cccc2c1CN[C@@H](C)C2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ACHE P22303 1/20 0.40
HTR2C P28335 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL19684553 1.00 PNMT (0.42) PNMTADRA2AADRA2BADRA2CACHE
SCHEMBL28303958 0.85 PNMT (0.42) PNMTADRA2AADRA2BADRA2CACHE
SCHEMBL19667668 0.80 DRD2 (0.45)
SCHEMBL19711062 0.80 PNMT (0.41) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL19711042 0.80 PNMT (0.41) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL19453936 0.80 DRD2 (0.45)
SCHEMBL30207819 0.80 DRD2 (0.45)
SCHEMBL19678827 0.77 PNMT (0.39) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL19678825 0.77 PNMT (0.39) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL23735275 0.76 PNMT (0.60) PNMTADRA2A

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 PNMT 2003/4885ADRA2A 3923/4885ADRA2B 4046/4885

“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.