SCHEMBL1644700

SCHEMBL1644700

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.42
NR1H4 Q96RI1 1/20 0.41
PDE2A O00408 1/20 0.39
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 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
SCHEMBL1643047 0.93 NR1H4 (0.41) HPGDSNR1H4PDE2AROCK2ROCK1
SCHEMBL1644385 0.92 MAOB (0.43) HPGDSPDE2A
SCHEMBL1644034 0.89 HPGDS (0.45) HPGDSROCK2ROCK1MAPK1
SCHEMBL1644658 0.87 NR1H4 (0.46) HPGDSNR1H4PDE2AMAPTNPSR1
SCHEMBL1644338 0.86 NR1H4 (0.48) NR1H4PDE2AROCK2ROCK1LMNA
SCHEMBL1284733 0.86 TRPV1 (0.42) HPGDSNR1H4PDE2ATRPV1
SCHEMBL14377374 0.85 HPGDS (0.45) HPGDSNR1H4PDE2AMAPTNPSR1
SCHEMBL1643052 0.83 HPGDS (0.42) HPGDSPDE2A
SCHEMBL1645222 0.83 HPGDS (0.43) HPGDSNR1H4PDE2AROCK1TRPV1
SCHEMBL1643131 0.83 PDE2A (0.45) NR1H4PDE2AMEN1KMT2A

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 732/4885PDE2A 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.