SCHEMBL1644034

SCHEMBL1644034

CCNc1ccc([C@@H](C)NC(=O)c2cnc3cc(C(C)C)ccc3c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 11/20 0.45
MAPK1 P28482 1/20 0.36
ROCK1 Q13464 2/20 0.36
ROCK2 O75116 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PRKACA P17612 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PRKX P51817 1/20 0.36
PRKCQ Q04759 1/20 0.36
MST1R Q04912 1/20 0.36

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
SCHEMBL1644700 0.89 HPGDS (0.42) HPGDSMAPK1ROCK1ROCK2
SCHEMBL1644385 0.88 MAOB (0.43) HPGDS
SCHEMBL1285252 0.85 HPGDS (0.44) HPGDSROCK1HDAC6PRKACAGSK3A
SCHEMBL14377396 0.83 HPGDS (0.48) HPGDSROCK1HDAC6PRKACAGSK3A
SCHEMBL1644611 0.83 HPGDS (0.46) HPGDSMAPK1ROCK1ROCK2HDAC6
SCHEMBL1643047 0.83 NR1H4 (0.41) HPGDSMAPK1ROCK1ROCK2
SCHEMBL1644603 0.82 MEN1 (0.37) HPGDSROCK1ROCK2
SCHEMBL1643215 0.82 PDE2A (0.43)
SCHEMBL1643659 0.80 LMNA (0.40) ROCK1ROCK2GSK3B
SCHEMBL1643052 0.79 HPGDS (0.42) HPGDS

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 427/4885MAPK1 1154/4885ROCK1 3959/4885

“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.