SCHEMBL19684582

SCHEMBL19684582

Cc1cc(F)cc2c1CNCC2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.44
HTR6 P50406 2/20 0.41
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
PARP1 P09874 1/20 0.36
CD44 P16070 1/20 0.35
MAOB P27338 1/20 0.35
F12 P00748 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
SCHEMBL25244698 0.85 PNMT (0.41) PNMTHTR6ADRA2AADRA2BADRA2C
SCHEMBL31020006 0.85 PNMT (0.41) PNMTHTR6ADRA2AADRA2BADRA2C
SCHEMBL627438 0.82 PNMT (0.48) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL19684575 0.81 PNMT (0.47) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL23735310 0.79 PNMT (0.46) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL19684534 0.79 PNMT (0.42) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL19684578 0.79 ASIC3 (0.43) PNMTHTR6ADRA2AADRA2BADRA2C
SCHEMBL19684576 0.78 PNMT (0.53) PNMTHTR6ADRA2AADRA2BADRA2C
SCHEMBL15503204 0.78 PNMT (0.49) PNMTADRA2AADRA2BADRA2C
SCHEMBL19684577 0.78 PNMT (0.50) PNMTADRA2AADRA2BADRA2CHTR2A

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 PNMT 2003/4885HTR6 4627/4885ADRA2A 3923/4885

“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.