SCHEMBL19684791

SCHEMBL19684791

CCc1cc(C)c2c(c1F)CCNC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.36
HTR6 P50406 5/20 0.36
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
PARP1 P09874 1/20 0.33
HTR2A P28223 1/20 0.32
RAD52 P43351 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA1 P30542 1/20 0.31
F12 P00748 1/20 0.31
MAPT P10636 1/20 0.31

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 0.82 PNMT (0.40) PNMTHTR6PARP1
SCHEMBL19710968 0.82 PNMT (0.35) PNMTHTR6HTR2CHTR2BPARP1
SCHEMBL19684795 0.81 PNMT (0.39) PNMTHTR6HTR2CHTR2BPARP1
SCHEMBL19678862 0.80 HTR2C (0.34) PNMTHTR6HTR2CHTR2BPARP1
SCHEMBL19684796 0.78 PNMT (0.49) PNMTHTR6HTR2CHTR2BHTR2A
SCHEMBL19684792 0.78 PNMT (0.37) PNMTHTR6PARP1
SCHEMBL17462475 0.78 PNMT (0.37) PNMTHTR6PARP1
SCHEMBL23735313 0.75 HTR2A (0.35) PNMTHTR6HTR2CHTR2BPARP1
SCHEMBL19684833 0.75 HTR2A (0.35) PNMTHTR6HTR2CHTR2BHTR2A
SCHEMBL19684535 0.75 PRMT5 (0.40) PNMTHTR6HTR2CHTR2BHTR2A

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 4627/4885HTR2C 4759/4885

“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.