SCHEMBL5114802

SCHEMBL5114802

COc1c(CN2CCOCC2)cc(C(F)(F)F)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.46
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
KCNJ1 P48048 1/20 0.41
MGLL Q99685 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
BRAF P15056 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC9A1 P19634 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5124004 0.90 HCRTR1 (0.42) SCN9AHCRTR1HCRTR2CNR1CNR2
SCHEMBL5119234 0.90 SCN9A (0.43) SCN9AHIF1APOLBL3MBTL1SLC9A1
SCHEMBL5114806 0.82 ALOX5AP (0.44) SCN9AALOX5APFEN1KCNJ1HIF1A
SCHEMBL3445946 0.82 SCN9A (0.52) SCN9AALOX5APFEN1MGLLABHD6
SCHEMBL5118350 0.79 POLB (0.42) HIF1APOLBL3MBTL1SMN1; SMN2
SCHEMBL690355 0.77 GAA (0.40) SCN9APOLBSMN1; SMN2
SCHEMBL689686 0.75 SSTR5 (0.42)
SCHEMBL5110256 0.74 SLC6A4 (0.42) SCN9ASMN1; SMN2
SCHEMBL691322 0.74 SSTR5 (0.38) SLC9A1
SCHEMBL1067998 0.74 SMN1; SMN2 (0.46) HCRTR1HCRTR2POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP claimed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO claimed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 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-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 SCN9A 2714/4885HCRTR1 1454/4885HCRTR2 2640/4885

“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.