SCHEMBL5118633

SCHEMBL5118633

COc1c(CN(C)CCN(C)C)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CYP2C19 P33261 2/20 0.38
SCN9A Q15858 2/20 0.38
HIF1A Q16665 5/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
APP P05067 3/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 1/20 0.32
CD69 Q07108 1/20 0.32
RARG P13631 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
SCN1A P35498 1/20 0.31

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
SCHEMBL5110866 0.89 CYP2C19 (0.50) CYP2C19SCN9AHIF1ACYP1A2CYP2D6
SCHEMBL689738 0.81 PKM (0.41) ACHECYP2C19SCN9AAPPHTT
SCHEMBL1404655 0.81 CYP2C19 (0.40) BCHEACHECYP2C19SCN9AHIF1A
SCHEMBL10104475 0.80 CYP2C19 (0.41) BCHEACHECYP2C19HIF1ACYP1A2
SCHEMBL689665 0.79 MAPT (0.41) HTTELANECD69RARGRXRA
SCHEMBL5110256 0.77 SLC6A4 (0.42) CYP2C19SCN9ACYP2D6HTTSMN1; SMN2
SCHEMBL690623 0.77 RARG (0.41) PARP1PARP2HTTSMN1; SMN2ELANE
SCHEMBL13130587 0.76 CYP2C19 (0.38) BCHEACHECYP2C19HIF1ACYP1A2
SCHEMBL1404550 0.76 ALDH1A1 (0.39) BCHEACHECYP2C19HIF1ACYP1A2
SCHEMBL5117060 0.76 MEN1 (0.37) PARP1HTTRARGRXRAPPARG

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 10 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
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 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
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO disclosed
US-20040186114-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-23 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 (2 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-20040186114-A1 Cytokine inhibitors IL1A, IL1B, IL1R1 BCHE 4191/4885ACHE 3868/4885CYP2C19 1564/4885
US-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 BCHE 3997/4885ACHE 3354/4885CYP2C19 1229/4885

“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.