SCHEMBL613338

SCHEMBL613338

O=C(c1c[nH]c2cc(Cl)c(Cl)cc12)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
PRKAG1 P54619 16/20 0.47
PRKAA1 Q13131 16/20 0.47
PRKAB1 Q9Y478 16/20 0.47
PRKAB2 O43741 15/20 0.47
PRKAA2 P54646 15/20 0.47
PRKAG3 Q9UGI9 15/20 0.47
PRKAG2 Q9UGJ0 15/20 0.47
PIM3 Q86V86 1/20 0.43
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 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
SCHEMBL613566 0.88 MAPK1 (0.51) MAPK1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL25129411 0.88 MAPK1 (0.51) MAPK1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL29988111 0.85 PRKAB2 (0.48) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL23612197 0.85 PRKAB2 (0.48) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL17429454 0.81 MAPK1 (0.58) MAPK1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL613310 0.81 MAPK1 (0.62) MAPK1PIM3F7F3MEN1
SCHEMBL14631289 0.81 F7 (0.69) MAPK1F7F3
SCHEMBL23612166 0.81 PRKAB2 (0.55) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL23612266 0.80 PRKAG1 (0.66) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL17429452 0.76 MAPK1 (0.53) MAPK1PRKAG1PRKAA1PRKAB1PRKAB2

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-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100256140-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES BISSANTZ CATERINA 2010-10-07 US disclosed
US-7803815-B2 Indol-3-yl-corbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
EP-1912976-B1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOLE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-11-12 EP disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
EP-1912976-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-23 EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US disclosed
WO-2007009906-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. 2007-01-25 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 (5 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-20100256140-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AVPR1A, AVPR2, AVPR1B MAPK1 2706/4885PRKAG1 2880/4885PRKAA1 3238/4885
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR MAPK1 3372/4885PRKAG1 3838/4885PRKAA1 4131/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR MAPK1 3372/4885PRKAG1 3838/4885PRKAA1 4131/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR MAPK1 3372/4885PRKAG1 3838/4885PRKAA1 4131/4885
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives AVPR1A, AVPR2, AVPR1B MAPK1 2706/4885PRKAG1 2880/4885PRKAA1 3238/4885

“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.