SCHEMBL1645338

SCHEMBL1645338

CC(C)(C)OC(=O)c1ccc2nc(C3CC3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.42
ALOX15 P16050 2/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GRM1 Q13255 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
POLB P06746 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL31429017 0.79 MEN1 (0.51) ALOX15HTTGABRA1GABRG2GABRB3
SCHEMBL1644720 0.79 POLB (0.48) HPGDSKCNH2HRH3POLBNPC1
SCHEMBL16016025 0.79 NPC1 (0.47) HPGDSALOX15HTTGRM1NPC1
SCHEMBL16016027 0.79 NPC1 (0.47) HPGDSALOX15HTTGRM1NPC1
SCHEMBL4987847 0.78 NCF1 (0.46) ALOX15HTTGABRA1GABRG2GABRB3
SCHEMBL31413488 0.77 HTT (0.48) ALOX15HTTGRM1CA12CA1
SCHEMBL27139933 0.77 HTT (0.48) ALOX15HTTGRM1CA12CA1
SCHEMBL8390404 0.76 GABRA1 (0.50) ALOX15GABRA1GABRG2GABRB3GABRA3
SCHEMBL24977227 0.76 KDM4E (0.40) ALOX15HTTGABRA1GABRG2GABRB3
SCHEMBL3814715 0.76 ALOX15 (0.40) ALOX15HTTGABRA1GABRG2GABRB3

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 3 patents. 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
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
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO 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 427/4885ALOX15 386/4885HTT 3273/4885

“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.