SCHEMBL1644658

SCHEMBL1644658

CCNc1ccc([C@@H](C)NC(=O)c2cnc3cc(C(C)(C)C)ccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.46
HPGDS O60760 8/20 0.45
PDE2A O00408 3/20 0.41
LMNA P02545 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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 0.87 HPGDS (0.42) NR1H4HPGDSPDE2ALMNATRPV1
SCHEMBL1645222 0.86 HPGDS (0.43) NR1H4HPGDSPDE2ALMNATRPV1
SCHEMBL14378397 0.85 NR1H4 (0.50) NR1H4HPGDSPDE2ALMNATRPV1
SCHEMBL1285415 0.85 NR1H4 (0.46) NR1H4HPGDSLMNA
SCHEMBL14377374 0.80 HPGDS (0.45) NR1H4HPGDSPDE2ALMNATRPV1
SCHEMBL1643047 0.79 NR1H4 (0.41) NR1H4HPGDSPDE2ALMNATRPV1
SCHEMBL1643052 0.79 HPGDS (0.42) HPGDSPDE2A
SCHEMBL1645206 0.78 HPGDS (0.43) HPGDSPDE2A
SCHEMBL1644385 0.78 MAOB (0.43) HPGDSPDE2A
SCHEMBL1284733 0.76 TRPV1 (0.42) NR1H4HPGDSPDE2ATRPV1

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 NR1H4 732/4885HPGDS 427/4885PDE2A 1116/4885

“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.