SCHEMBL1645222

SCHEMBL1645222

CCNc1c(F)cc([C@@H](C)NC(=O)c2cnc3cc(C(C)(C)C)ccc3c2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.43
NR1H4 Q96RI1 1/20 0.40
LMNA P02545 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE2A O00408 1/20 0.36
PRKACA P17612 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PRKX P51817 1/20 0.35
PRKCQ Q04759 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 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
SCHEMBL1645206 0.92 HPGDS (0.43) HPGDSPDE2A
SCHEMBL1644611 0.87 HPGDS (0.46) HPGDSLMNAALDH1A1MAPK1ROCK1
SCHEMBL1644658 0.86 NR1H4 (0.46) HPGDSNR1H4LMNATRPV1ALDH1A1
SCHEMBL1285312 0.86 HPGDS (0.43) HPGDSNR1H4TRPV1
SCHEMBL1644380 0.83 PDE2A (0.41) NR1H4TRPV1MEN1KMT2APDE2A
SCHEMBL1644700 0.83 HPGDS (0.42) HPGDSNR1H4LMNATRPV1ALDH1A1
SCHEMBL1643052 0.83 HPGDS (0.42) HPGDSPDE2A
SCHEMBL1643268 0.80 LMNA (0.42) NR1H4LMNAALDH1A1MEN1MAPK1
SCHEMBL14378397 0.80 NR1H4 (0.50) HPGDSNR1H4LMNATRPV1MEN1
SCHEMBL1285302 0.78 HPGDS (0.43) HPGDSTRPV1PDE2A

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 HPGDS 427/4885NR1H4 732/4885LMNA 2439/4885

“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.