SCHEMBL19684833

SCHEMBL19684833

Cc1cc(C(F)(F)F)c(F)c2c1CNCC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.35
HTR2C P28335 6/20 0.35
HTR2B P41595 6/20 0.35
PNMT P11086 3/20 0.35
HTR6 P50406 6/20 0.33
ASIC3 Q9UHC3 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CRHBP P24387 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL19684829 0.89 PNMT (0.34) HTR2AHTR2CHTR2BPNMTHTR6
SCHEMBL23735313 0.87 HTR2A (0.35) HTR2AHTR2CHTR2BPNMTHTR6
SCHEMBL19684600 0.84 HTR6 (0.36) HTR2AHTR2CHTR2BPNMTHTR6
SCHEMBL20778123 0.83 HTR2A (0.35) HTR2AHTR2CHTR2BPNMTHTR6
SCHEMBL19684784 0.81 PNMT (0.40) PNMTHTR6
SCHEMBL23735224 0.81 HTR2C (0.35) HTR2AHTR2CHTR2BPNMTHTR6
SCHEMBL17462475 0.80 PNMT (0.37) PNMTHTR6CYP1A2
SCHEMBL19684795 0.80 PNMT (0.39) HTR2AHTR2CHTR2BPNMTHTR6
SCHEMBL19678859 0.77 HTR2A (0.35) HTR2AHTR2CHTR2BPNMTHTR6
SCHEMBL19684792 0.77 PNMT (0.37) PNMTHTR6ASIC3

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 HTR2A 4697/4885HTR2C 4759/4885HTR2B 4558/4885

“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.