SCHEMBL10171990

SCHEMBL10171990

Nc1nnc(-c2ccc(OC(F)(F)F)cc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 7/20 0.45
KCNH2 Q12809 4/20 0.44
SCN5A Q14524 3/20 0.44
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN9A Q15858 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
NISCH Q9Y2I1 1/20 0.43
NPY5R Q15761 1/20 0.42
NOTUM Q6P988 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
WNT3A P56704 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
KIF11 P52732 1/20 0.40
CHEK2 O96017 1/20 0.39
GRK6 P43250 1/20 0.39
XDH P47989 1/20 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
SCHEMBL25260119 0.82 SCN10A (0.47) SCN10AKCNH2SCN5ASCN1ASCN2A
SCHEMBL1691510 0.77 KDM4E (0.53) SCN2AXDH
SCHEMBL10171975 0.73 ALDH1A1 (0.51) CHEK2XDH
SCHEMBL30311988 0.71 SCN5A (0.44) SCN10AKCNH2SCN5ASCN1ASCN2A
SCHEMBL10221536 0.71 ADORA3 (0.51) SCN10ATRPV1KIF11CHEK2GRK6
SCHEMBL19569164 0.71 NISCH (0.42) NISCHTNKS2CHEK2
SCHEMBL419214 0.70 HDAC6 (0.46) NISCHTRPV1TNKS2KIF11XDH
SCHEMBL6404365 0.70 GRK6 (0.40) SCN10AKCNH2SCN5ASCN1ASCN2A
SCHEMBL25429428 0.70 GRK6 (0.46) SCN10ASCN2ACHEK2GRK6
SCHEMBL1242144 0.70 KIF11 (0.52) SCN10AKCNH2SCN5ASCN1ASCN2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362039-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362039-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2342200-B1 Compounds which selectively modulate the cb2 receptor BOEHRINGER INGELHEIM INT (DE) 2013-01-23 EP disclosed
US-8349871-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-8048899-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-01 US disclosed
US-8048899-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
WO-2010036630-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (3 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-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SCN10A 624/4885KCNH2 1048/4885SCN5A 1288/4885
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SCN10A 668/4885KCNH2 1076/4885SCN5A 1424/4885
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SCN10A 668/4885KCNH2 1076/4885SCN5A 1424/4885

“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.