SCHEMBL19684576

SCHEMBL19684576

Cc1cc(Cl)cc2c1CNCC2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.53
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2C P28335 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
ASIC3 Q9UHC3 1/20 0.44
HTR6 P50406 1/20 0.41

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
SCHEMBL15503204 0.81 PNMT (0.49) PNMTADRA2AADRA2BADRA2CHTR2B
SCHEMBL19684575 0.81 PNMT (0.47) PNMTADRA2AADRA2BADRA2CHTR2C
Bromide SCHEMBL15515105 0.80 PNMT (0.47) PNMTADRA2AADRA2BADRA2CHTR2B
SCHEMBL23735310 0.79 PNMT (0.46) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL19711552 0.78 PNMT (0.53) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL19684577 0.78 PNMT (0.50) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL19684582 0.78 PNMT (0.44) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL25259397 0.78 PNMT (0.53) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL20778182 0.77 PNMT (0.49) PNMTADRA2AADRA2BADRA2CHTR2C
Hydrochloric Acid SCHEMBL29216547 0.76 PNMT (0.49) PNMTADRA2AADRA2BADRA2CHTR2C

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.