SCHEMBL19684795

SCHEMBL19684795

Cc1cc(F)c(F)c2c1CNCC2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.39
HTR6 P50406 6/20 0.35
PARP1 P09874 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL19684784 0.87 PNMT (0.40) PNMTHTR6PARP1
SCHEMBL17462475 0.82 PNMT (0.37) PNMTHTR6PARP1
SCHEMBL19684792 0.82 PNMT (0.37) PNMTHTR6PARP1
SCHEMBL19684796 0.82 PNMT (0.49) PNMTHTR6HTR2AHTR2CHTR2B
SCHEMBL19684791 0.81 PNMT (0.36) PNMTHTR6PARP1HTR2AHTR2C
SCHEMBL23735313 0.80 HTR2A (0.35) PNMTHTR6PARP1HTR2AHTR2C
SCHEMBL19684833 0.80 HTR2A (0.35) PNMTHTR6HTR2AHTR2CHTR2B
SCHEMBL19684535 0.80 PRMT5 (0.40) PNMTHTR6HTR2AHTR2CHTR2B
SCHEMBL19684830 0.80 PNMT (0.37) PNMTHTR6HTR2AHTR2CHTR2B
SCHEMBL17462476 0.80 PRMT5 (0.41) PNMTHTR6HTR2AHTR2CHTR2B

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 2003/4885HTR6 4627/4885PARP1 37/4885

“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.